python3-gpaw-mpich-25.1.0-2.fc43 in Fedora Rawhide
↵ Return to the main page of python3-gpaw-mpich
View build
Search for updates
Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2025-03-08 | Ralf Corsépius <corsepiu at fedoraproject dot org> - 25.1.0-2 | - Rebuild for scalapack SONAME change. |
| 2025-01-25 | Marcin Dulak <marcindulak at fedoraproject dot org> - 25.1.0-1 | - New upstream release |
| 2025-01-17 | Fedora Release Engineering <releng at fedoraproject dot org> - 24.6.0-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild |
| 2024-10-16 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 24.6.0-3 | - Bump release |
| 2024-10-13 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 24.6.0-2 | - Rebuild against libxc 7 in rawhide and fix BZ#2140559. |
| 2024-09-24 | Marcin Dulak <marcindulak at fedoraproject dot org> - 24.6.0-1 | - New upstream release |
| 2024-07-25 | Miroslav Suchý <msuchy at redhat dot com> - 24.1.0-4 | - convert license to SPDX |
| 2024-07-18 | Fedora Release Engineering <releng at fedoraproject dot org> - 24.1.0-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-08 | Python Maint <python dash maint at redhat dot com> - 24.1.0-2 | - Rebuilt for Python 3.13 |
| 2024-01-30 | Marcin Dulak <marcindulak at fedoraproject dot org> - 24.1.0-1 | - New upstream release |
Dependencies
- fftw-libs-double
- flexiblas-netlib
- glibc
- gpaw-common = 25.1.0-2.fc43
- libxc
- mpich
- python3 = 3.13
- scalapack-mpich
Provides
- python-gpaw-mpich
- python3-gpaw-mpich
- python3-gpaw-mpich(x86-64)
- python3.13-gpaw-mpich
Files
- usr/
- lib/
- .build-id/
- 3b/
- 98cf7de9663633336287f4b22367b18877b0fe
- 3b/
- .build-id/
- lib64/
- python3.13/
- site-packages/
- mpich/
- _gpaw.cpython-313-x86_64-linux-gnu.so
- gpaw/
- __init__.py
- __main__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- __main__.cpython-313.opt-1.pyc
- __main__.cpython-313.pyc
- _broadcast_imports.cpython-313.opt-1.pyc
- _broadcast_imports.cpython-313.pyc
- ae.cpython-313.opt-1.pyc
- ae.cpython-313.pyc
- ah.cpython-313.opt-1.pyc
- ah.cpython-313.pyc
- arraydict.cpython-313.opt-1.pyc
- arraydict.cpython-313.pyc
- atomrotations.cpython-313.opt-1.pyc
- atomrotations.cpython-313.pyc
- band_descriptor.cpython-313.opt-1.pyc
- band_descriptor.cpython-313.pyc
- basis_data.cpython-313.opt-1.pyc
- basis_data.cpython-313.pyc
- berryphase.cpython-313.opt-1.pyc
- berryphase.cpython-313.pyc
- bfield.cpython-313.opt-1.pyc
- bfield.cpython-313.pyc
- blacs.cpython-313.opt-1.pyc
- blacs.cpython-313.pyc
- borncharges.cpython-313.opt-1.pyc
- borncharges.cpython-313.pyc
- bztools.cpython-313.opt-1.pyc
- bztools.cpython-313.pyc
- calculator.cpython-313.opt-1.pyc
- calculator.cpython-313.pyc
- cgpaw.cpython-313.opt-1.pyc
- cgpaw.cpython-313.pyc
- cluster.cpython-313.opt-1.pyc
- cluster.cpython-313.pyc
- coding_style.cpython-313.opt-1.pyc
- coding_style.cpython-313.pyc
- convergence_criteria.cpython-313.opt-1.pyc
- convergence_criteria.cpython-313.pyc
- coulomb.cpython-313.opt-1.pyc
- coulomb.cpython-313.pyc
- densities.cpython-313.opt-1.pyc
- densities.cpython-313.pyc
- density.cpython-313.opt-1.pyc
- density.cpython-313.pyc
- dipole_correction.cpython-313.opt-1.pyc
- dipole_correction.cpython-313.pyc
- domain.cpython-313.opt-1.pyc
- domain.cpython-313.pyc
- dos.cpython-313.opt-1.pyc
- dos.cpython-313.pyc
- dscf.cpython-313.opt-1.pyc
- dscf.cpython-313.pyc
- electrostatic_potential.cpython-313.opt-1.pyc
- electrostatic_potential.cpython-313.pyc
- elf.cpython-313.opt-1.pyc
- elf.cpython-313.pyc
- external.cpython-313.opt-1.pyc
- external.cpython-313.pyc
- fd_operators.cpython-313.opt-1.pyc
- fd_operators.cpython-313.pyc
- ffbt.cpython-313.opt-1.pyc
- ffbt.cpython-313.pyc
- fftw.cpython-313.opt-1.pyc
- fftw.cpython-313.pyc
- forces.cpython-313.opt-1.pyc
- forces.cpython-313.pyc
- fulldiag.cpython-313.opt-1.pyc
- fulldiag.cpython-313.pyc
- gaunt.cpython-313.opt-1.pyc
- gaunt.cpython-313.pyc
- gauss.cpython-313.opt-1.pyc
- gauss.cpython-313.pyc
- grid_descriptor.cpython-313.opt-1.pyc
- grid_descriptor.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- heg.cpython-313.opt-1.pyc
- heg.cpython-313.pyc
- helmholtz.cpython-313.opt-1.pyc
- helmholtz.cpython-313.pyc
- hgh.cpython-313.opt-1.pyc
- hgh.cpython-313.pyc
- hgh_parameters.cpython-313.opt-1.pyc
- hgh_parameters.cpython-313.pyc
- hubbard.cpython-313.opt-1.pyc
- hubbard.cpython-313.pyc
- hyperfine.cpython-313.opt-1.pyc
- hyperfine.cpython-313.pyc
- ibz2bz.cpython-313.opt-1.pyc
- ibz2bz.cpython-313.pyc
- jellium.cpython-313.opt-1.pyc
- jellium.cpython-313.pyc
- kohnsham_layouts.cpython-313.opt-1.pyc
- kohnsham_layouts.cpython-313.pyc
- kpoint.cpython-313.opt-1.pyc
- kpoint.cpython-313.pyc
- kpt_descriptor.cpython-313.opt-1.pyc
- kpt_descriptor.cpython-313.pyc
- kpt_refine.cpython-313.opt-1.pyc
- kpt_refine.cpython-313.pyc
- lfc.cpython-313.opt-1.pyc
- lfc.cpython-313.pyc
- matrix.cpython-313.opt-1.pyc
- matrix.cpython-313.pyc
- matrix_descriptor.cpython-313.opt-1.pyc
- matrix_descriptor.cpython-313.pyc
- mixer.cpython-313.opt-1.pyc
- mixer.cpython-313.pyc
- mom.cpython-313.opt-1.pyc
- mom.cpython-313.pyc
- mpi.cpython-313.opt-1.pyc
- mpi.cpython-313.pyc
- occupations.cpython-313.opt-1.pyc
- occupations.cpython-313.pyc
- output.cpython-313.opt-1.pyc
- output.cpython-313.pyc
- overlap.cpython-313.opt-1.pyc
- overlap.cpython-313.pyc
- pair_density.cpython-313.opt-1.pyc
- pair_density.cpython-313.pyc
- pair_overlap.cpython-313.opt-1.pyc
- pair_overlap.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- poisson_extravacuum.cpython-313.opt-1.pyc
- poisson_extravacuum.cpython-313.pyc
- poisson_moment.cpython-313.opt-1.pyc
- poisson_moment.cpython-313.pyc
- preconditioner.cpython-313.opt-1.pyc
- preconditioner.cpython-313.pyc
- projections.cpython-313.opt-1.pyc
- projections.cpython-313.pyc
- pseudopotential.cpython-313.opt-1.pyc
- pseudopotential.cpython-313.pyc
- quiz.cpython-313.opt-1.pyc
- quiz.cpython-313.pyc
- rotation.cpython-313.opt-1.pyc
- rotation.cpython-313.pyc
- scf.cpython-313.opt-1.pyc
- scf.cpython-313.pyc
- setup.cpython-313.opt-1.pyc
- setup.cpython-313.pyc
- setup_data.cpython-313.opt-1.pyc
- setup_data.cpython-313.pyc
- spherical_harmonics.cpython-313.opt-1.pyc
- spherical_harmonics.cpython-313.pyc
- spinorbit.cpython-313.opt-1.pyc
- spinorbit.cpython-313.pyc
- spline.cpython-313.opt-1.pyc
- spline.cpython-313.pyc
- stress.cpython-313.opt-1.pyc
- stress.cpython-313.pyc
- symmetry.cpython-313.opt-1.pyc
- symmetry.cpython-313.pyc
- tetrahedron.cpython-313.opt-1.pyc
- tetrahedron.cpython-313.pyc
- transformers.cpython-313.opt-1.pyc
- transformers.cpython-313.pyc
- typing.cpython-313.opt-1.pyc
- typing.cpython-313.pyc
- unfold.cpython-313.opt-1.pyc
- unfold.cpython-313.pyc
- upf.cpython-313.opt-1.pyc
- upf.cpython-313.pyc
- wannier90.cpython-313.opt-1.pyc
- wannier90.cpython-313.pyc
- wfd_operators.cpython-313.opt-1.pyc
- wfd_operators.cpython-313.pyc
- xas.cpython-313.opt-1.pyc
- xas.cpython-313.pyc
- zero_field_splitting.cpython-313.opt-1.pyc
- zero_field_splitting.cpython-313.pyc
- _broadcast_imports.py
- ae.py
- ah.py
- analyse/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- eed.cpython-313.opt-1.pyc
- eed.cpython-313.pyc
- expandyl.cpython-313.opt-1.pyc
- expandyl.cpython-313.pyc
- hirshfeld.cpython-313.opt-1.pyc
- hirshfeld.cpython-313.pyc
- multipole.cpython-313.opt-1.pyc
- multipole.cpython-313.pyc
- observers.cpython-313.opt-1.pyc
- observers.cpython-313.pyc
- overlap.cpython-313.opt-1.pyc
- overlap.cpython-313.pyc
- simple_stm.cpython-313.opt-1.pyc
- simple_stm.cpython-313.pyc
- vdwradii.cpython-313.opt-1.pyc
- vdwradii.cpython-313.pyc
- wignerseitz.cpython-313.opt-1.pyc
- wignerseitz.cpython-313.pyc
- eed.py
- expandyl.py
- hirshfeld.py
- multipole.py
- observers.py
- overlap.py
- simple_stm.py
- vdwradii.py
- wignerseitz.py
- arraydict.py
- atom/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- aeatom.cpython-313.opt-1.pyc
- aeatom.cpython-313.pyc
- all_electron.cpython-313.opt-1.pyc
- all_electron.cpython-313.pyc
- analyse_setup.cpython-313.opt-1.pyc
- analyse_setup.cpython-313.pyc
- atompaw.cpython-313.opt-1.pyc
- atompaw.cpython-313.pyc
- basis.cpython-313.opt-1.pyc
- basis.cpython-313.pyc
- check.cpython-313.opt-1.pyc
- check.cpython-313.pyc
- configurations.cpython-313.opt-1.pyc
- configurations.cpython-313.pyc
- filter.cpython-313.opt-1.pyc
- filter.cpython-313.pyc
- generator.cpython-313.opt-1.pyc
- generator.cpython-313.pyc
- generator2.cpython-313.opt-1.pyc
- generator2.cpython-313.pyc
- gpaw_basis.cpython-313.opt-1.pyc
- gpaw_basis.cpython-313.pyc
- gpaw_setup.cpython-313.opt-1.pyc
- gpaw_setup.cpython-313.pyc
- optimize.cpython-313.opt-1.pyc
- optimize.cpython-313.pyc
- radialgd.cpython-313.opt-1.pyc
- radialgd.cpython-313.pyc
- shapefunc.cpython-313.opt-1.pyc
- shapefunc.cpython-313.pyc
- aeatom.py
- all_electron.py
- analyse_setup.py
- atompaw.py
- basis.py
- check.py
- configurations.py
- filter.py
- generator.py
- generator2.py
- gpaw_basis.py
- gpaw_setup.py
- optimize.py
- radialgd.py
- shapefunc.py
- atomrotations.py
- band_descriptor.py
- basis_data.py
- berryphase.py
- bfield.py
- blacs.py
- borncharges.py
- bztools.py
- calculator.py
- cdft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cdft.cpython-313.opt-1.pyc
- cdft.cpython-313.pyc
- cdft_coupling.cpython-313.opt-1.pyc
- cdft_coupling.cpython-313.pyc
- cdft.py
- cdft_coupling.py
- cgpaw.py
- cli/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- complete.cpython-313.opt-1.pyc
- complete.cpython-313.pyc
- completion.cpython-313.opt-1.pyc
- completion.cpython-313.pyc
- dos.cpython-313.opt-1.pyc
- dos.cpython-313.pyc
- gpw.cpython-313.opt-1.pyc
- gpw.cpython-313.pyc
- info.cpython-313.opt-1.pyc
- info.cpython-313.pyc
- install_data.cpython-313.opt-1.pyc
- install_data.cpython-313.pyc
- main.cpython-313.opt-1.pyc
- main.cpython-313.pyc
- python.cpython-313.opt-1.pyc
- python.cpython-313.pyc
- quick.cpython-313.opt-1.pyc
- quick.cpython-313.pyc
- run.cpython-313.opt-1.pyc
- run.cpython-313.pyc
- sbatch.cpython-313.opt-1.pyc
- sbatch.cpython-313.pyc
- test.cpython-313.opt-1.pyc
- test.cpython-313.pyc
- complete.py
- completion.py
- dos.py
- gpw.py
- info.py
- install_data.py
- main.py
- python.py
- quick.py
- run.py
- sbatch.py
- test.py
- cluster.py
- coding_style.py
- convergence_criteria.py
- core/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- arrays.cpython-313.opt-1.pyc
- arrays.cpython-313.pyc
- atom_arrays.cpython-313.opt-1.pyc
- atom_arrays.cpython-313.pyc
- atom_centered_functions.cpython-313.opt-1.pyc
- atom_centered_functions.cpython-313.pyc
- domain.cpython-313.opt-1.pyc
- domain.cpython-313.pyc
- matrix.cpython-313.opt-1.pyc
- matrix.cpython-313.pyc
- plane_waves.cpython-313.opt-1.pyc
- plane_waves.cpython-313.pyc
- pwacf.cpython-313.opt-1.pyc
- pwacf.cpython-313.pyc
- uniform_grid.cpython-313.opt-1.pyc
- uniform_grid.cpython-313.pyc
- arrays.py
- atom_arrays.py
- atom_centered_functions.py
- domain.py
- matrix.py
- plane_waves.py
- pwacf.py
- uniform_grid.py
- coulomb.py
- data/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- g2_1_ref.cpython-313.opt-1.pyc
- g2_1_ref.cpython-313.pyc
- g2_1_ref.py
- defects/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- densities.py
- density.py
- dfpt/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- dynamicalmatrix.cpython-313.opt-1.pyc
- dynamicalmatrix.cpython-313.pyc
- electronphononcoupling.cpython-313.opt-1.pyc
- electronphononcoupling.cpython-313.pyc
- kpointcontainer.cpython-313.opt-1.pyc
- kpointcontainer.cpython-313.pyc
- linearsolver.cpython-313.opt-1.pyc
- linearsolver.cpython-313.pyc
- mixer.cpython-313.opt-1.pyc
- mixer.cpython-313.pyc
- perturbation.cpython-313.opt-1.pyc
- perturbation.cpython-313.pyc
- phononcalculator.cpython-313.opt-1.pyc
- phononcalculator.cpython-313.pyc
- phononperturbation.cpython-313.opt-1.pyc
- phononperturbation.cpython-313.pyc
- phonons.cpython-313.opt-1.pyc
- phonons.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- preconditioner.cpython-313.opt-1.pyc
- preconditioner.cpython-313.pyc
- responsecalculator.cpython-313.opt-1.pyc
- responsecalculator.cpython-313.pyc
- scipylinearsolver.cpython-313.opt-1.pyc
- scipylinearsolver.cpython-313.pyc
- sternheimeroperator.cpython-313.opt-1.pyc
- sternheimeroperator.cpython-313.pyc
- wavefunctions.cpython-313.opt-1.pyc
- wavefunctions.cpython-313.pyc
- dynamicalmatrix.py
- electronphononcoupling.py
- kpointcontainer.py
- linearsolver.py
- mixer.py
- perturbation.py
- phononcalculator.py
- phononperturbation.py
- phonons.py
- poisson.py
- preconditioner.py
- responsecalculator.py
- scipylinearsolver.py
- sternheimeroperator.py
- wavefunctions.py
- dipole_correction.py
- directmin/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- derivatives.cpython-313.opt-1.pyc
- derivatives.cpython-313.pyc
- etdm_fdpw.cpython-313.opt-1.pyc
- etdm_fdpw.cpython-313.pyc
- etdm_lcao.cpython-313.opt-1.pyc
- etdm_lcao.cpython-313.pyc
- ls_etdm.cpython-313.opt-1.pyc
- ls_etdm.cpython-313.pyc
- scf_helper.cpython-313.opt-1.pyc
- scf_helper.cpython-313.pyc
- sd_etdm.cpython-313.opt-1.pyc
- sd_etdm.cpython-313.pyc
- tools.cpython-313.opt-1.pyc
- tools.cpython-313.pyc
- derivatives.py
- etdm_fdpw.py
- etdm_lcao.py
- fdpw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- er_localization.cpython-313.opt-1.pyc
- er_localization.cpython-313.pyc
- etdm_inner_loop.cpython-313.opt-1.pyc
- etdm_inner_loop.cpython-313.pyc
- pz_localization.cpython-313.opt-1.pyc
- pz_localization.cpython-313.pyc
- er_localization.py
- etdm_inner_loop.py
- pz_localization.py
- functional/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- fdpw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- ks.cpython-313.opt-1.pyc
- ks.cpython-313.pyc
- pz.cpython-313.opt-1.pyc
- pz.cpython-313.pyc
- ks.py
- pz.py
- lcao/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- ks.cpython-313.opt-1.pyc
- ks.cpython-313.pyc
- pz.cpython-313.opt-1.pyc
- pz.cpython-313.pyc
- ks.py
- pz.py
- lcao/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- etdm_helper_lcao.cpython-313.opt-1.pyc
- etdm_helper_lcao.cpython-313.pyc
- etdm_helper_lcao.py
- locfunc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- etdm_localization_fdpw.cpython-313.opt-1.pyc
- etdm_localization_fdpw.cpython-313.pyc
- localize_orbitals.cpython-313.opt-1.pyc
- localize_orbitals.cpython-313.pyc
- etdm_localization_fdpw.py
- localize_orbitals.py
- ls_etdm.py
- scf_helper.py
- sd_etdm.py
- tools.py
- doctools/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- aamath.cpython-313.opt-1.pyc
- aamath.cpython-313.pyc
- agts_crontab.cpython-313.opt-1.pyc
- agts_crontab.cpython-313.pyc
- build_web_page.cpython-313.opt-1.pyc
- build_web_page.cpython-313.pyc
- codegraph.cpython-313.opt-1.pyc
- codegraph.cpython-313.pyc
- aamath.py
- agts_crontab.py
- build_web_page.py
- codegraph.py
- domain.py
- dos.py
- dscf.py
- eigensolvers/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cg.cpython-313.opt-1.pyc
- cg.cpython-313.pyc
- davidson.cpython-313.opt-1.pyc
- davidson.cpython-313.pyc
- diagonalizerbackend.cpython-313.opt-1.pyc
- diagonalizerbackend.cpython-313.pyc
- direct.cpython-313.opt-1.pyc
- direct.cpython-313.pyc
- eigensolver.cpython-313.opt-1.pyc
- eigensolver.cpython-313.pyc
- rmmdiis.cpython-313.opt-1.pyc
- rmmdiis.cpython-313.pyc
- cg.py
- davidson.py
- diagonalizerbackend.py
- direct.py
- eigensolver.py
- rmmdiis.py
- electrostatic_potential.py
- elf.py
- elph/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- displacements.cpython-313.opt-1.pyc
- displacements.cpython-313.pyc
- filter.cpython-313.opt-1.pyc
- filter.cpython-313.pyc
- gmatrix.cpython-313.opt-1.pyc
- gmatrix.cpython-313.pyc
- gpts.cpython-313.opt-1.pyc
- gpts.cpython-313.pyc
- raman_calculator.cpython-313.opt-1.pyc
- raman_calculator.cpython-313.pyc
- raman_data.cpython-313.opt-1.pyc
- raman_data.cpython-313.pyc
- supercell.cpython-313.opt-1.pyc
- supercell.cpython-313.pyc
- displacements.py
- filter.py
- gmatrix.py
- gpts.py
- raman_calculator.py
- raman_data.py
- supercell.py
- external.py
- fd_operators.py
- fdtd/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- poisson_fdtd.cpython-313.opt-1.pyc
- poisson_fdtd.cpython-313.pyc
- polarizable_material.cpython-313.opt-1.pyc
- polarizable_material.cpython-313.pyc
- potential_couplers.cpython-313.opt-1.pyc
- potential_couplers.cpython-313.pyc
- poisson_fdtd.py
- polarizable_material.py
- potential_couplers.py
- ffbt.py
- fftw.py
- forces.py
- fulldiag.py
- gaunt.py
- gauss.py
- gpu/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- mpi.cpython-313.opt-1.pyc
- mpi.cpython-313.pyc
- cpupy/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cublas.cpython-313.opt-1.pyc
- cublas.cpython-313.pyc
- fft.cpython-313.opt-1.pyc
- fft.cpython-313.pyc
- linalg.cpython-313.opt-1.pyc
- linalg.cpython-313.pyc
- random.cpython-313.opt-1.pyc
- random.cpython-313.pyc
- cublas.py
- fft.py
- linalg.py
- random.py
- cpupyx/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- fft.cpython-313.opt-1.pyc
- fft.cpython-313.pyc
- scipy.cpython-313.opt-1.pyc
- scipy.cpython-313.pyc
- sparse.cpython-313.opt-1.pyc
- sparse.cpython-313.pyc
- fft.py
- scipy.py
- sparse.py
- mpi.py
- grid_descriptor.py
- hamiltonian.py
- heg.py
- helmholtz.py
- hgh.py
- hgh_parameters.py
- hubbard.py
- hybrids/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- coulomb.cpython-313.opt-1.pyc
- coulomb.cpython-313.pyc
- eigenvalues.cpython-313.opt-1.pyc
- eigenvalues.cpython-313.pyc
- energy.cpython-313.opt-1.pyc
- energy.cpython-313.pyc
- forces.cpython-313.opt-1.pyc
- forces.cpython-313.pyc
- kpts.cpython-313.opt-1.pyc
- kpts.cpython-313.pyc
- paw.cpython-313.opt-1.pyc
- paw.cpython-313.pyc
- scf.cpython-313.opt-1.pyc
- scf.cpython-313.pyc
- symmetry.cpython-313.opt-1.pyc
- symmetry.cpython-313.pyc
- wrapper.cpython-313.opt-1.pyc
- wrapper.cpython-313.pyc
- wstc.cpython-313.opt-1.pyc
- wstc.cpython-313.pyc
- coulomb.py
- eigenvalues.py
- energy.py
- forces.py
- kpts.py
- paw.py
- scf.py
- symmetry.py
- wrapper.py
- wstc.py
- hyperfine.py
- ibz2bz.py
- inducedfield/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- inducedfield_base.cpython-313.opt-1.pyc
- inducedfield_base.cpython-313.pyc
- inducedfield_fdtd.cpython-313.opt-1.pyc
- inducedfield_fdtd.cpython-313.pyc
- inducedfield_lrtddft.cpython-313.opt-1.pyc
- inducedfield_lrtddft.cpython-313.pyc
- inducedfield_tddft.cpython-313.opt-1.pyc
- inducedfield_tddft.cpython-313.pyc
- inducedfield_base.py
- inducedfield_fdtd.py
- inducedfield_lrtddft.py
- inducedfield_tddft.py
- io/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- fmf.cpython-313.opt-1.pyc
- fmf.cpython-313.pyc
- logger.cpython-313.opt-1.pyc
- logger.cpython-313.pyc
- old.cpython-313.opt-1.pyc
- old.cpython-313.pyc
- tar.cpython-313.opt-1.pyc
- tar.cpython-313.pyc
- fmf.py
- logger.py
- old.py
- tar.py
- jellium.py
- kohnsham_layouts.py
- kpoint.py
- kpt_descriptor.py
- kpt_refine.py
- lcao/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- analyse_basis.cpython-313.opt-1.pyc
- analyse_basis.cpython-313.pyc
- atomic_correction.cpython-313.opt-1.pyc
- atomic_correction.cpython-313.pyc
- bsse.cpython-313.opt-1.pyc
- bsse.cpython-313.pyc
- dipoletransition.cpython-313.opt-1.pyc
- dipoletransition.cpython-313.pyc
- eigensolver.cpython-313.opt-1.pyc
- eigensolver.cpython-313.pyc
- el_ph.cpython-313.opt-1.pyc
- el_ph.cpython-313.pyc
- generate_extended.cpython-313.opt-1.pyc
- generate_extended.cpython-313.pyc
- generate_ngto_augmented.cpython-313.opt-1.pyc
- generate_ngto_augmented.cpython-313.pyc
- local_orbitals.cpython-313.opt-1.pyc
- local_orbitals.cpython-313.pyc
- overlap.cpython-313.opt-1.pyc
- overlap.cpython-313.pyc
- projected_wannier.cpython-313.opt-1.pyc
- projected_wannier.cpython-313.pyc
- pwf2.cpython-313.opt-1.pyc
- pwf2.cpython-313.pyc
- scissors.cpython-313.opt-1.pyc
- scissors.cpython-313.pyc
- tci.cpython-313.opt-1.pyc
- tci.cpython-313.pyc
- tightbinding.cpython-313.opt-1.pyc
- tightbinding.cpython-313.pyc
- tools.cpython-313.opt-1.pyc
- tools.cpython-313.pyc
- analyse_basis.py
- atomic_correction.py
- bsse.py
- dipoletransition.py
- eigensolver.py
- el_ph.py
- generate_extended.py
- generate_ngto_augmented.py
- local_orbitals.py
- overlap.py
- projected_wannier.py
- pwf2.py
- scissors.py
- tci.py
- tightbinding.py
- tools.py
- lcaotddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- densitymatrix.cpython-313.opt-1.pyc
- densitymatrix.cpython-313.pyc
- dipolemomentwriter.cpython-313.opt-1.pyc
- dipolemomentwriter.cpython-313.pyc
- energywriter.cpython-313.opt-1.pyc
- energywriter.cpython-313.pyc
- frequencydensitymatrix.cpython-313.opt-1.pyc
- frequencydensitymatrix.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- ksdecomposition.cpython-313.opt-1.pyc
- ksdecomposition.cpython-313.pyc
- laser.cpython-313.opt-1.pyc
- laser.cpython-313.pyc
- linedensity.cpython-313.opt-1.pyc
- linedensity.cpython-313.pyc
- logger.cpython-313.opt-1.pyc
- logger.cpython-313.pyc
- magneticmomentwriter.cpython-313.opt-1.pyc
- magneticmomentwriter.cpython-313.pyc
- observer.cpython-313.opt-1.pyc
- observer.cpython-313.pyc
- propagators.cpython-313.opt-1.pyc
- propagators.cpython-313.pyc
- qed.cpython-313.opt-1.pyc
- qed.cpython-313.pyc
- quadrupolemomentwriter.cpython-313.opt-1.pyc
- quadrupolemomentwriter.cpython-313.pyc
- restartfilewriter.cpython-313.opt-1.pyc
- restartfilewriter.cpython-313.pyc
- tcm.cpython-313.opt-1.pyc
- tcm.cpython-313.pyc
- timedensitymatrix.cpython-313.opt-1.pyc
- timedensitymatrix.cpython-313.pyc
- utilities.cpython-313.opt-1.pyc
- utilities.cpython-313.pyc
- wfwriter.cpython-313.opt-1.pyc
- wfwriter.cpython-313.pyc
- densitymatrix.py
- dipolemomentwriter.py
- energywriter.py
- frequencydensitymatrix.py
- hamiltonian.py
- ksdecomposition.py
- laser.py
- linedensity.py
- logger.py
- magneticmomentwriter.py
- observer.py
- propagators.py
- qed.py
- quadrupolemomentwriter.py
- restartfilewriter.py
- tcm.py
- timedensitymatrix.py
- utilities.py
- wfwriter.py
- lfc.py
- lrtddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- apmb.cpython-313.opt-1.pyc
- apmb.cpython-313.pyc
- convergence.cpython-313.opt-1.pyc
- convergence.cpython-313.pyc
- dielectric.cpython-313.opt-1.pyc
- dielectric.cpython-313.pyc
- excitation.cpython-313.opt-1.pyc
- excitation.cpython-313.pyc
- excited_state.cpython-313.opt-1.pyc
- excited_state.cpython-313.pyc
- finite_differences.cpython-313.opt-1.pyc
- finite_differences.cpython-313.pyc
- kssingle.cpython-313.opt-1.pyc
- kssingle.cpython-313.pyc
- kssrestrictor.cpython-313.opt-1.pyc
- kssrestrictor.cpython-313.pyc
- omega_matrix.cpython-313.opt-1.pyc
- omega_matrix.cpython-313.pyc
- spectrum.cpython-313.opt-1.pyc
- spectrum.cpython-313.pyc
- apmb.py
- convergence.py
- dielectric.py
- excitation.py
- excited_state.py
- finite_differences.py
- kssingle.py
- kssrestrictor.py
- omega_matrix.py
- spectrum.py
- lrtddft2/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- eta.cpython-313.opt-1.pyc
- eta.cpython-313.pyc
- k_matrix.cpython-313.opt-1.pyc
- k_matrix.cpython-313.pyc
- ks_singles.cpython-313.opt-1.pyc
- ks_singles.cpython-313.pyc
- lr_communicators.cpython-313.opt-1.pyc
- lr_communicators.cpython-313.pyc
- lr_layouts.cpython-313.opt-1.pyc
- lr_layouts.cpython-313.pyc
- lr_response.cpython-313.opt-1.pyc
- lr_response.cpython-313.pyc
- lr_transitions.cpython-313.opt-1.pyc
- lr_transitions.cpython-313.pyc
- tools.cpython-313.opt-1.pyc
- tools.cpython-313.pyc
- eta.py
- k_matrix.py
- ks_singles.py
- lr_communicators.py
- lr_layouts.py
- lr_response.py
- lr_transitions.py
- tools.py
- matrix.py
- matrix_descriptor.py
- mixer.py
- mom.py
- mpi.py
- new/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- ase_interface.cpython-313.opt-1.pyc
- ase_interface.cpython-313.pyc
- backwards_compatibility.cpython-313.opt-1.pyc
- backwards_compatibility.cpython-313.pyc
- basis.cpython-313.opt-1.pyc
- basis.cpython-313.pyc
- brillouin.cpython-313.opt-1.pyc
- brillouin.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- c.cpython-313.opt-1.pyc
- c.cpython-313.pyc
- calculation.cpython-313.opt-1.pyc
- calculation.cpython-313.pyc
- density.cpython-313.opt-1.pyc
- density.cpython-313.pyc
- eigensolver.cpython-313.opt-1.pyc
- eigensolver.cpython-313.pyc
- external_potential.cpython-313.opt-1.pyc
- external_potential.cpython-313.pyc
- gpw.cpython-313.opt-1.pyc
- gpw.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- ibzwfs.cpython-313.opt-1.pyc
- ibzwfs.cpython-313.pyc
- input_parameters.cpython-313.opt-1.pyc
- input_parameters.cpython-313.pyc
- logger.cpython-313.opt-1.pyc
- logger.cpython-313.pyc
- orbmag.cpython-313.opt-1.pyc
- orbmag.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- pot_calc.cpython-313.opt-1.pyc
- pot_calc.cpython-313.pyc
- potential.cpython-313.opt-1.pyc
- potential.cpython-313.pyc
- rttddft.cpython-313.opt-1.pyc
- rttddft.cpython-313.pyc
- scf.cpython-313.opt-1.pyc
- scf.cpython-313.pyc
- smearing.cpython-313.opt-1.pyc
- smearing.cpython-313.pyc
- spinspiral.cpython-313.opt-1.pyc
- spinspiral.cpython-313.pyc
- symmetry.cpython-313.opt-1.pyc
- symmetry.cpython-313.pyc
- timer.cpython-313.opt-1.pyc
- timer.cpython-313.pyc
- wannier.cpython-313.opt-1.pyc
- wannier.cpython-313.pyc
- wave_functions.cpython-313.opt-1.pyc
- wave_functions.cpython-313.pyc
- xc.cpython-313.opt-1.pyc
- xc.cpython-313.pyc
- ase_interface.py
- backwards_compatibility.py
- basis.py
- brillouin.py
- builder.py
- c.py
- calculation.py
- density.py
- eigensolver.py
- external_potential.py
- fd/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- pot_calc.cpython-313.opt-1.pyc
- pot_calc.cpython-313.pyc
- builder.py
- hamiltonian.py
- pot_calc.py
- gpw.py
- hamiltonian.py
- ibzwfs.py
- input_parameters.py
- lcao/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- eigensolver.cpython-313.opt-1.pyc
- eigensolver.cpython-313.pyc
- forces.cpython-313.opt-1.pyc
- forces.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- hybrids.cpython-313.opt-1.pyc
- hybrids.cpython-313.pyc
- ibzwfs.cpython-313.opt-1.pyc
- ibzwfs.cpython-313.pyc
- wave_functions.cpython-313.opt-1.pyc
- wave_functions.cpython-313.pyc
- builder.py
- eigensolver.py
- forces.py
- hamiltonian.py
- hybrids.py
- ibzwfs.py
- wave_functions.py
- logger.py
- orbmag.py
- poisson.py
- pot_calc.py
- potential.py
- pw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- bloechl_poisson.cpython-313.opt-1.pyc
- bloechl_poisson.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- fulldiag.cpython-313.opt-1.pyc
- fulldiag.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- hybrids.cpython-313.opt-1.pyc
- hybrids.cpython-313.pyc
- paw_poisson.cpython-313.opt-1.pyc
- paw_poisson.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- pot_calc.cpython-313.opt-1.pyc
- pot_calc.cpython-313.pyc
- stress.cpython-313.opt-1.pyc
- stress.cpython-313.pyc
- bloechl_poisson.py
- builder.py
- fulldiag.py
- hamiltonian.py
- hybrids.py
- paw_poisson.py
- poisson.py
- pot_calc.py
- stress.py
- pwfd/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- davidson.cpython-313.opt-1.pyc
- davidson.cpython-313.pyc
- etdm.cpython-313.opt-1.pyc
- etdm.cpython-313.pyc
- ibzwfs.cpython-313.opt-1.pyc
- ibzwfs.cpython-313.pyc
- move_wfs.cpython-313.opt-1.pyc
- move_wfs.cpython-313.pyc
- wave_functions.cpython-313.opt-1.pyc
- wave_functions.cpython-313.pyc
- builder.py
- davidson.py
- etdm.py
- ibzwfs.py
- move_wfs.py
- wave_functions.py
- rttddft.py
- scf.py
- smearing.py
- spinspiral.py
- symmetry.py
- tb/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- builder.cpython-313.opt-1.pyc
- builder.cpython-313.pyc
- builder.py
- timer.py
- wannier.py
- wave_functions.py
- xc.py
- nlopt/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- adapters.cpython-313.opt-1.pyc
- adapters.cpython-313.pyc
- basic.cpython-313.opt-1.pyc
- basic.cpython-313.pyc
- linear.cpython-313.opt-1.pyc
- linear.cpython-313.pyc
- matrixel.cpython-313.opt-1.pyc
- matrixel.cpython-313.pyc
- shg.cpython-313.opt-1.pyc
- shg.cpython-313.pyc
- shift.cpython-313.opt-1.pyc
- shift.cpython-313.pyc
- adapters.py
- basic.py
- linear.py
- matrixel.py
- shg.py
- shift.py
- occupations.py
- output.py
- overlap.py
- pair_density.py
- pair_overlap.py
- pes/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- continuum.cpython-313.opt-1.pyc
- continuum.cpython-313.pyc
- dos.cpython-313.opt-1.pyc
- dos.cpython-313.pyc
- ds_beta.cpython-313.opt-1.pyc
- ds_beta.cpython-313.pyc
- state.cpython-313.opt-1.pyc
- state.cpython-313.pyc
- tddft.cpython-313.opt-1.pyc
- tddft.cpython-313.pyc
- continuum.py
- dos.py
- ds_beta.py
- state.py
- tddft.py
- pipekmezey/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- pipek_mezey_wannier.cpython-313.opt-1.pyc
- pipek_mezey_wannier.cpython-313.pyc
- wannier_basic.cpython-313.opt-1.pyc
- wannier_basic.cpython-313.pyc
- weightfunction.cpython-313.opt-1.pyc
- weightfunction.cpython-313.pyc
- pipek_mezey_wannier.py
- wannier_basic.py
- weightfunction.py
- point_groups/
- __init__.py
- __main__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- __main__.cpython-313.opt-1.pyc
- __main__.cpython-313.pyc
- check.cpython-313.opt-1.pyc
- check.cpython-313.pyc
- cli.cpython-313.opt-1.pyc
- cli.cpython-313.pyc
- group.cpython-313.opt-1.pyc
- group.cpython-313.pyc
- groups.cpython-313.opt-1.pyc
- groups.cpython-313.pyc
- check.py
- cli.py
- group.py
- groups.py
- poisson.py
- poisson_extravacuum.py
- poisson_moment.py
- preconditioner.py
- projections.py
- pseudopotential.py
- pw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- density.cpython-313.opt-1.pyc
- density.cpython-313.pyc
- descriptor.cpython-313.opt-1.pyc
- descriptor.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- lfc.cpython-313.opt-1.pyc
- lfc.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- density.py
- descriptor.py
- hamiltonian.py
- lfc.py
- poisson.py
- py.typed
- quiz.py
- raman/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- raman.cpython-313.opt-1.pyc
- raman.cpython-313.pyc
- raman.py
- response/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- bse.cpython-313.opt-1.pyc
- bse.cpython-313.pyc
- chi0.cpython-313.opt-1.pyc
- chi0.cpython-313.pyc
- chi0_base.cpython-313.opt-1.pyc
- chi0_base.cpython-313.pyc
- chi0_data.cpython-313.opt-1.pyc
- chi0_data.cpython-313.pyc
- chi0_drude.cpython-313.opt-1.pyc
- chi0_drude.cpython-313.pyc
- chiks.cpython-313.opt-1.pyc
- chiks.cpython-313.pyc
- context.cpython-313.opt-1.pyc
- context.cpython-313.pyc
- coulomb_kernels.cpython-313.opt-1.pyc
- coulomb_kernels.cpython-313.pyc
- density_kernels.cpython-313.opt-1.pyc
- density_kernels.cpython-313.pyc
- df.cpython-313.opt-1.pyc
- df.cpython-313.pyc
- dyson.cpython-313.opt-1.pyc
- dyson.cpython-313.pyc
- frequencies.cpython-313.opt-1.pyc
- frequencies.cpython-313.pyc
- fxc_kernels.cpython-313.opt-1.pyc
- fxc_kernels.cpython-313.pyc
- g0w0.cpython-313.opt-1.pyc
- g0w0.cpython-313.pyc
- g0w0_kernels.cpython-313.opt-1.pyc
- g0w0_kernels.cpython-313.pyc
- gamma_int.cpython-313.opt-1.pyc
- gamma_int.cpython-313.pyc
- goldstone.cpython-313.opt-1.pyc
- goldstone.cpython-313.pyc
- groundstate.cpython-313.opt-1.pyc
- groundstate.cpython-313.pyc
- gw_bands.cpython-313.opt-1.pyc
- gw_bands.cpython-313.pyc
- heisenberg.cpython-313.opt-1.pyc
- heisenberg.cpython-313.pyc
- hilbert.cpython-313.opt-1.pyc
- hilbert.cpython-313.pyc
- integrators.cpython-313.opt-1.pyc
- integrators.cpython-313.pyc
- jdos.cpython-313.opt-1.pyc
- jdos.cpython-313.pyc
- kpoints.cpython-313.opt-1.pyc
- kpoints.cpython-313.pyc
- kspair.cpython-313.opt-1.pyc
- kspair.cpython-313.pyc
- localft.cpython-313.opt-1.pyc
- localft.cpython-313.pyc
- matrix_elements.cpython-313.opt-1.pyc
- matrix_elements.cpython-313.pyc
- mft.cpython-313.opt-1.pyc
- mft.cpython-313.pyc
- modelinteraction.cpython-313.opt-1.pyc
- modelinteraction.cpython-313.pyc
- mpa_interpolation.cpython-313.opt-1.pyc
- mpa_interpolation.cpython-313.pyc
- mpa_sampling.cpython-313.opt-1.pyc
- mpa_sampling.cpython-313.pyc
- pair.cpython-313.opt-1.pyc
- pair.cpython-313.pyc
- pair_functions.cpython-313.opt-1.pyc
- pair_functions.cpython-313.pyc
- pair_integrator.cpython-313.opt-1.pyc
- pair_integrator.cpython-313.pyc
- pair_transitions.cpython-313.opt-1.pyc
- pair_transitions.cpython-313.pyc
- paw.cpython-313.opt-1.pyc
- paw.cpython-313.pyc
- pw_parallelization.cpython-313.opt-1.pyc
- pw_parallelization.cpython-313.pyc
- q0_correction.cpython-313.opt-1.pyc
- q0_correction.cpython-313.pyc
- qeh.cpython-313.opt-1.pyc
- qeh.cpython-313.pyc
- screened_interaction.cpython-313.opt-1.pyc
- screened_interaction.cpython-313.pyc
- site_data.cpython-313.opt-1.pyc
- site_data.cpython-313.pyc
- site_kernels.cpython-313.opt-1.pyc
- site_kernels.cpython-313.pyc
- site_paw.cpython-313.opt-1.pyc
- site_paw.cpython-313.pyc
- susceptibility.cpython-313.opt-1.pyc
- susceptibility.cpython-313.pyc
- symmetrize.cpython-313.opt-1.pyc
- symmetrize.cpython-313.pyc
- symmetry.cpython-313.opt-1.pyc
- symmetry.cpython-313.pyc
- temp.cpython-313.opt-1.pyc
- temp.cpython-313.pyc
- tool.cpython-313.opt-1.pyc
- tool.cpython-313.pyc
- wgg.cpython-313.opt-1.pyc
- wgg.cpython-313.pyc
- bse.py
- chi0.py
- chi0_base.py
- chi0_data.py
- chi0_drude.py
- chiks.py
- context.py
- coulomb_kernels.py
- density_kernels.py
- df.py
- dyson.py
- frequencies.py
- fxc_kernels.py
- g0w0.py
- g0w0_kernels.py
- gamma_int.py
- goldstone.py
- groundstate.py
- gw_bands.py
- heisenberg.py
- hilbert.py
- integrators.py
- jdos.py
- kpoints.py
- kspair.py
- localft.py
- matrix_elements.py
- mft.py
- modelinteraction.py
- mpa_interpolation.py
- mpa_sampling.py
- pair.py
- pair_functions.py
- pair_integrator.py
- pair_transitions.py
- paw.py
- pw_parallelization.py
- q0_correction.py
- qeh.py
- screened_interaction.py
- site_data.py
- site_kernels.py
- site_paw.py
- susceptibility.py
- symmetrize.py
- symmetry.py
- temp.py
- tool.py
- wgg.py
- rotation.py
- scf.py
- setup.py
- setup_data.py
- solvation/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- calculator.cpython-313.opt-1.pyc
- calculator.cpython-313.pyc
- cavity.cpython-313.opt-1.pyc
- cavity.cpython-313.pyc
- dielectric.cpython-313.opt-1.pyc
- dielectric.cpython-313.pyc
- gridmem.cpython-313.opt-1.pyc
- gridmem.cpython-313.pyc
- hamiltonian.cpython-313.opt-1.pyc
- hamiltonian.cpython-313.pyc
- interactions.cpython-313.opt-1.pyc
- interactions.cpython-313.pyc
- poisson.cpython-313.opt-1.pyc
- poisson.cpython-313.pyc
- sjm.cpython-313.opt-1.pyc
- sjm.cpython-313.pyc
- calculator.py
- cavity.py
- dielectric.py
- gridmem.py
- hamiltonian.py
- interactions.py
- poisson.py
- sjm.py
- sphere/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- integrate.cpython-313.opt-1.pyc
- integrate.cpython-313.pyc
- lebedev.cpython-313.opt-1.pyc
- lebedev.cpython-313.pyc
- rshe.cpython-313.opt-1.pyc
- rshe.cpython-313.pyc
- integrate.py
- lebedev.py
- rshe.py
- spherical_harmonics.py
- spinorbit.py
- spline.py
- stress.py
- symmetry.py
- tddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- abc.cpython-313.opt-1.pyc
- abc.cpython-313.pyc
- ehrenfest.cpython-313.opt-1.pyc
- ehrenfest.cpython-313.pyc
- folding.cpython-313.opt-1.pyc
- folding.cpython-313.pyc
- laser.cpython-313.opt-1.pyc
- laser.cpython-313.pyc
- propagators.cpython-313.opt-1.pyc
- propagators.cpython-313.pyc
- spectrum.cpython-313.opt-1.pyc
- spectrum.cpython-313.pyc
- tdopers.cpython-313.opt-1.pyc
- tdopers.cpython-313.pyc
- units.cpython-313.opt-1.pyc
- units.cpython-313.pyc
- utils.cpython-313.opt-1.pyc
- utils.cpython-313.pyc
- abc.py
- ehrenfest.py
- folding.py
- laser.py
- propagators.py
- solvers/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- base.cpython-313.opt-1.pyc
- base.cpython-313.pyc
- bicgstab.cpython-313.opt-1.pyc
- bicgstab.cpython-313.pyc
- cscg.cpython-313.opt-1.pyc
- cscg.cpython-313.pyc
- base.py
- bicgstab.py
- cscg.py
- spectrum.py
- tdopers.py
- units.py
- utils.py
- test/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- agts.cpython-313.opt-1.pyc
- agts.cpython-313.pyc
- cachedfilehandler.cpython-313.opt-1.pyc
- cachedfilehandler.cpython-313.pyc
- conftest.cpython-313.opt-1.pyc
- conftest.cpython-313.pyc
- crontab.cpython-313.opt-1.pyc
- crontab.cpython-313.pyc
- fuzz.cpython-313.opt-1.pyc
- fuzz.cpython-313.pyc
- gpwfile.cpython-313.opt-1.pyc
- gpwfile.cpython-313.pyc
- mmefile.cpython-313.opt-1.pyc
- mmefile.cpython-313.pyc
- test_AA_enthalpy.cpython-313.opt-1.pyc
- test_AA_enthalpy.cpython-313.pyc
- test_Gauss.cpython-313.opt-1.pyc
- test_Gauss.cpython-313.pyc
- test_ae.cpython-313.opt-1.pyc
- test_ae.cpython-313.pyc
- test_aeatom.cpython-313.opt-1.pyc
- test_aeatom.cpython-313.pyc
- test_aedensity.cpython-313.opt-1.pyc
- test_aedensity.cpython-313.pyc
- test_atomic_el_pot.cpython-313.opt-1.pyc
- test_atomic_el_pot.cpython-313.pyc
- test_atoms_mismatch.cpython-313.opt-1.pyc
- test_atoms_mismatch.cpython-313.pyc
- test_atoms_too_close.cpython-313.opt-1.pyc
- test_atoms_too_close.cpython-313.pyc
- test_berryphase.cpython-313.opt-1.pyc
- test_berryphase.cpython-313.pyc
- test_broadcast_imports.cpython-313.opt-1.pyc
- test_broadcast_imports.cpython-313.pyc
- test_broydenmixer.cpython-313.opt-1.pyc
- test_broydenmixer.cpython-313.pyc
- test_cluster.cpython-313.opt-1.pyc
- test_cluster.cpython-313.pyc
- test_complete.cpython-313.opt-1.pyc
- test_complete.cpython-313.pyc
- test_complex.cpython-313.opt-1.pyc
- test_complex.cpython-313.pyc
- test_coreeig.cpython-313.opt-1.pyc
- test_coreeig.cpython-313.pyc
- test_coulomb.cpython-313.opt-1.pyc
- test_coulomb.cpython-313.pyc
- test_diagonalizer_backend.cpython-313.opt-1.pyc
- test_diagonalizer_backend.cpython-313.pyc
- test_dipole.cpython-313.opt-1.pyc
- test_dipole.cpython-313.pyc
- test_dipole_me.cpython-313.opt-1.pyc
- test_dipole_me.cpython-313.pyc
- test_dipole_new.cpython-313.opt-1.pyc
- test_dipole_new.cpython-313.pyc
- test_ds_beta.cpython-313.opt-1.pyc
- test_ds_beta.cpython-313.pyc
- test_fermilevel.cpython-313.opt-1.pyc
- test_fermilevel.cpython-313.pyc
- test_fermisplit.cpython-313.opt-1.pyc
- test_fermisplit.cpython-313.pyc
- test_ffbt.cpython-313.opt-1.pyc
- test_ffbt.cpython-313.pyc
- test_fixdensity.cpython-313.opt-1.pyc
- test_fixdensity.cpython-313.pyc
- test_fixdensity_mgga.cpython-313.opt-1.pyc
- test_fixdensity_mgga.cpython-313.pyc
- test_fixmom.cpython-313.opt-1.pyc
- test_fixmom.cpython-313.pyc
- test_fixocc.cpython-313.opt-1.pyc
- test_fixocc.cpython-313.pyc
- test_force_as_stop.cpython-313.opt-1.pyc
- test_force_as_stop.cpython-313.pyc
- test_fuzz.cpython-313.opt-1.pyc
- test_fuzz.cpython-313.pyc
- test_gaunt.cpython-313.opt-1.pyc
- test_gaunt.cpython-313.pyc
- test_gauss_func.cpython-313.opt-1.pyc
- test_gauss_func.cpython-313.pyc
- test_gauss_wave.cpython-313.opt-1.pyc
- test_gauss_wave.cpython-313.pyc
- test_generate_gpwfiles.cpython-313.opt-1.pyc
- test_generate_gpwfiles.cpython-313.pyc
- test_ibz2bz.cpython-313.opt-1.pyc
- test_ibz2bz.cpython-313.pyc
- test_ibzqpt.cpython-313.opt-1.pyc
- test_ibzqpt.cpython-313.pyc
- test_inducedfield_lrtddft.cpython-313.opt-1.pyc
- test_inducedfield_lrtddft.cpython-313.pyc
- test_inducedfield_td.cpython-313.opt-1.pyc
- test_inducedfield_td.cpython-313.pyc
- test_initial_occs.cpython-313.opt-1.pyc
- test_initial_occs.cpython-313.pyc
- test_jellium.cpython-313.opt-1.pyc
- test_jellium.cpython-313.pyc
- test_kpt.cpython-313.opt-1.pyc
- test_kpt.cpython-313.pyc
- test_kpt_refine.cpython-313.opt-1.pyc
- test_kpt_refine.cpython-313.pyc
- test_libelpa.cpython-313.opt-1.pyc
- test_libelpa.cpython-313.pyc
- test_lvlmm.cpython-313.opt-1.pyc
- test_lvlmm.cpython-313.pyc
- test_mpicomm.cpython-313.opt-1.pyc
- test_mpicomm.cpython-313.pyc
- test_muffintinpot.cpython-313.opt-1.pyc
- test_muffintinpot.cpython-313.pyc
- test_multipoleH2O.cpython-313.opt-1.pyc
- test_multipoleH2O.cpython-313.pyc
- test_multipoletest.cpython-313.opt-1.pyc
- test_multipoletest.cpython-313.pyc
- test_negative_eigerror.cpython-313.opt-1.pyc
- test_negative_eigerror.cpython-313.pyc
- test_new_calculator.cpython-313.opt-1.pyc
- test_new_calculator.cpython-313.pyc
- test_nosave_projections.cpython-313.opt-1.pyc
- test_nosave_projections.cpython-313.pyc
- test_occupations.cpython-313.opt-1.pyc
- test_occupations.cpython-313.pyc
- test_orbmag.cpython-313.opt-1.pyc
- test_orbmag.cpython-313.pyc
- test_overlap.cpython-313.opt-1.pyc
- test_overlap.cpython-313.pyc
- test_potential.cpython-313.opt-1.pyc
- test_potential.cpython-313.pyc
- test_rattle.cpython-313.opt-1.pyc
- test_rattle.cpython-313.pyc
- test_reuse_wfs.cpython-313.opt-1.pyc
- test_reuse_wfs.cpython-313.pyc
- test_reuse_wfs_celldisp.cpython-313.opt-1.pyc
- test_reuse_wfs_celldisp.cpython-313.pyc
- test_scf_criteria.cpython-313.opt-1.pyc
- test_scf_criteria.cpython-313.pyc
- test_spectrum.cpython-313.opt-1.pyc
- test_spectrum.cpython-313.pyc
- test_spherical_harmonics.cpython-313.opt-1.pyc
- test_spherical_harmonics.cpython-313.pyc
- test_spinorbit_Kr.cpython-313.opt-1.pyc
- test_spinorbit_Kr.cpython-313.pyc
- test_stdout.cpython-313.opt-1.pyc
- test_stdout.cpython-313.pyc
- test_timelimit.cpython-313.opt-1.pyc
- test_timelimit.cpython-313.pyc
- test_timing.cpython-313.opt-1.pyc
- test_timing.cpython-313.pyc
- test_too_close.cpython-313.opt-1.pyc
- test_too_close.cpython-313.pyc
- test_unfold.cpython-313.opt-1.pyc
- test_unfold.cpython-313.pyc
- test_vdwradii.cpython-313.opt-1.pyc
- test_vdwradii.cpython-313.pyc
- test_warn_missing_mode.cpython-313.opt-1.pyc
- test_warn_missing_mode.cpython-313.pyc
- test_watermodel.cpython-313.opt-1.pyc
- test_watermodel.cpython-313.pyc
- agts.py
- ase_features/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- autoneb.cpython-313.opt-1.pyc
- autoneb.cpython-313.pyc
- test_ase3k.cpython-313.opt-1.pyc
- test_ase3k.cpython-313.pyc
- test_ase3k_version.cpython-313.opt-1.pyc
- test_ase3k_version.cpython-313.pyc
- autoneb.py
- test_ase3k.py
- test_ase3k_version.py
- big/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- dcdft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- analyse.cpython-313.opt-1.pyc
- analyse.cpython-313.pyc
- pbe_abinit_fhi.cpython-313.opt-1.pyc
- pbe_abinit_fhi.cpython-313.pyc
- pbe_abinit_hgh.cpython-313.opt-1.pyc
- pbe_abinit_hgh.cpython-313.pyc
- pbe_abinit_paw.cpython-313.opt-1.pyc
- pbe_abinit_paw.cpython-313.pyc
- pbe_aims.cpython-313.opt-1.pyc
- pbe_aims.cpython-313.pyc
- pbe_gpaw_pw.cpython-313.opt-1.pyc
- pbe_gpaw_pw.cpython-313.pyc
- pbe_gpaw_pw_verify.cpython-313.opt-1.pyc
- pbe_gpaw_pw_verify.cpython-313.pyc
- analyse.py
- pbe_abinit_fhi.py
- pbe_abinit_hgh.py
- pbe_abinit_paw.py
- pbe_aims.py
- pbe_gpaw_pw.py
- pbe_gpaw_pw_verify.py
- hsk/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- hsk.cpython-313.opt-1.pyc
- hsk.cpython-313.pyc
- hsk.py
- setups/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_systems/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- agts.cpython-313.opt-1.pyc
- agts.cpython-313.pyc
- create.cpython-313.opt-1.pyc
- create.cpython-313.pyc
- agts.py
- create.py
- cachedfilehandler.py
- conftest.py
- corehole/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_S2p.cpython-313.opt-1.pyc
- test_S2p.cpython-313.pyc
- test_h2o.cpython-313.opt-1.pyc
- test_h2o.cpython-313.pyc
- test_h2o_dks.cpython-313.opt-1.pyc
- test_h2o_dks.cpython-313.pyc
- test_h2o_recursion.cpython-313.opt-1.pyc
- test_h2o_recursion.cpython-313.pyc
- test_li2.cpython-313.opt-1.pyc
- test_li2.cpython-313.pyc
- test_si.cpython-313.opt-1.pyc
- test_si.cpython-313.pyc
- test_S2p.py
- test_h2o.py
- test_h2o_dks.py
- test_h2o_recursion.py
- test_li2.py
- test_si.py
- crontab.py
- dscf/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_dscf_lcao.cpython-313.opt-1.pyc
- test_dscf_lcao.cpython-313.pyc
- test_dscf_lcao.py
- eigen/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_blocked_rmm_diis.cpython-313.opt-1.pyc
- test_blocked_rmm_diis.cpython-313.pyc
- test_cg.cpython-313.opt-1.pyc
- test_cg.cpython-313.pyc
- test_cg2.cpython-313.opt-1.pyc
- test_cg2.cpython-313.pyc
- test_davidson.cpython-313.opt-1.pyc
- test_davidson.cpython-313.pyc
- test_keep_htpsit.cpython-313.opt-1.pyc
- test_keep_htpsit.cpython-313.pyc
- test_blocked_rmm_diis.py
- test_cg.py
- test_cg2.py
- test_davidson.py
- test_keep_htpsit.py
- elph/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- conftest.cpython-313.opt-1.pyc
- conftest.cpython-313.pyc
- test_displacements.cpython-313.opt-1.pyc
- test_displacements.cpython-313.pyc
- test_gmatrix.cpython-313.opt-1.pyc
- test_gmatrix.cpython-313.pyc
- test_gpts_helper.cpython-313.opt-1.pyc
- test_gpts_helper.cpython-313.pyc
- test_gradient.cpython-313.opt-1.pyc
- test_gradient.cpython-313.pyc
- test_indices.cpython-313.opt-1.pyc
- test_indices.cpython-313.pyc
- test_ramancalculator.cpython-313.opt-1.pyc
- test_ramancalculator.cpython-313.pyc
- test_resonant_term.cpython-313.opt-1.pyc
- test_resonant_term.cpython-313.pyc
- test_supercell.cpython-313.opt-1.pyc
- test_supercell.cpython-313.pyc
- conftest.py
- test_displacements.py
- test_gmatrix.py
- test_gpts_helper.py
- test_gradient.py
- test_indices.py
- test_ramancalculator.py
- test_resonant_term.py
- test_supercell.py
- ext_potential/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- stark_shift.cpython-313.opt-1.pyc
- stark_shift.cpython-313.pyc
- test_b_field.cpython-313.opt-1.pyc
- test_b_field.cpython-313.pyc
- test_collection.cpython-313.opt-1.pyc
- test_collection.cpython-313.pyc
- test_constant_e_field.cpython-313.opt-1.pyc
- test_constant_e_field.cpython-313.pyc
- test_external.cpython-313.opt-1.pyc
- test_external.cpython-313.pyc
- test_external_pw.cpython-313.opt-1.pyc
- test_external_pw.cpython-313.pyc
- test_harmonic.cpython-313.opt-1.pyc
- test_harmonic.cpython-313.pyc
- test_point_charge.cpython-313.opt-1.pyc
- test_point_charge.cpython-313.pyc
- test_step.cpython-313.opt-1.pyc
- test_step.cpython-313.pyc
- stark_shift.py
- test_b_field.py
- test_collection.py
- test_constant_e_field.py
- test_external.py
- test_external_pw.py
- test_harmonic.py
- test_point_charge.py
- test_step.py
- exx/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_coarse.cpython-313.opt-1.pyc
- test_coarse.cpython-313.pyc
- test_derivs.cpython-313.opt-1.pyc
- test_derivs.cpython-313.pyc
- test_double_cell.cpython-313.opt-1.pyc
- test_double_cell.cpython-313.pyc
- test_exx.cpython-313.opt-1.pyc
- test_exx.cpython-313.pyc
- test_exx_scf.cpython-313.opt-1.pyc
- test_exx_scf.cpython-313.pyc
- test_forces_ut.cpython-313.opt-1.pyc
- test_forces_ut.cpython-313.pyc
- test_kpts.cpython-313.opt-1.pyc
- test_kpts.cpython-313.pyc
- test_unocc.cpython-313.opt-1.pyc
- test_unocc.cpython-313.pyc
- test_xc.cpython-313.opt-1.pyc
- test_xc.cpython-313.pyc
- test_coarse.py
- test_derivs.py
- test_double_cell.py
- test_exx.py
- test_exx_scf.py
- test_forces_ut.py
- test_kpts.py
- test_unocc.py
- test_xc.py
- fd_ops/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_gd.cpython-313.opt-1.pyc
- test_gd.cpython-313.pyc
- test_gradient.cpython-313.opt-1.pyc
- test_gradient.cpython-313.pyc
- test_laplace.cpython-313.opt-1.pyc
- test_laplace.cpython-313.pyc
- test_nabla.cpython-313.opt-1.pyc
- test_nabla.cpython-313.pyc
- test_non_periodic.cpython-313.opt-1.pyc
- test_non_periodic.cpython-313.pyc
- test_transformations.cpython-313.opt-1.pyc
- test_transformations.cpython-313.pyc
- test_gd.py
- test_gradient.py
- test_laplace.py
- test_nabla.py
- test_non_periodic.py
- test_transformations.py
- fdtd/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_ed.cpython-313.opt-1.pyc
- test_ed.cpython-313.pyc
- test_ed_inducedfield.cpython-313.opt-1.pyc
- test_ed_inducedfield.cpython-313.pyc
- test_ed_shapes.cpython-313.opt-1.pyc
- test_ed_shapes.cpython-313.pyc
- test_ed_wrapper.cpython-313.opt-1.pyc
- test_ed_wrapper.cpython-313.pyc
- test_ed.py
- test_ed_inducedfield.py
- test_ed_shapes.py
- test_ed_wrapper.py
- fileio/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_ascii_art.cpython-313.opt-1.pyc
- test_ascii_art.cpython-313.pyc
- test_file_reference.cpython-313.opt-1.pyc
- test_file_reference.cpython-313.pyc
- test_gap.cpython-313.opt-1.pyc
- test_gap.cpython-313.pyc
- test_parallel.cpython-313.opt-1.pyc
- test_parallel.cpython-313.pyc
- test_read_old_gpw.cpython-313.opt-1.pyc
- test_read_old_gpw.cpython-313.pyc
- test_refine.cpython-313.opt-1.pyc
- test_refine.cpython-313.pyc
- test_restart.cpython-313.opt-1.pyc
- test_restart.cpython-313.pyc
- test_restart_density.cpython-313.opt-1.pyc
- test_restart_density.cpython-313.pyc
- test_wfs_auto.cpython-313.opt-1.pyc
- test_wfs_auto.cpython-313.pyc
- test_wfs_io.cpython-313.opt-1.pyc
- test_wfs_io.cpython-313.pyc
- test_ascii_art.py
- test_file_reference.py
- test_gap.py
- test_parallel.py
- test_read_old_gpw.py
- test_refine.py
- test_restart.py
- test_restart_density.py
- test_wfs_auto.py
- test_wfs_io.py
- fuzz.py
- generic/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_2Al.cpython-313.opt-1.pyc
- test_2Al.cpython-313.pyc
- test_8Si.cpython-313.opt-1.pyc
- test_8Si.cpython-313.pyc
- test_Cl_minus.cpython-313.opt-1.pyc
- test_Cl_minus.cpython-313.pyc
- test_Cu.cpython-313.opt-1.pyc
- test_Cu.cpython-313.pyc
- test_H_force.cpython-313.opt-1.pyc
- test_H_force.cpython-313.pyc
- test_IP_oxygen.cpython-313.opt-1.pyc
- test_IP_oxygen.cpython-313.pyc
- test_al_chain.cpython-313.opt-1.pyc
- test_al_chain.cpython-313.pyc
- test_asym_box.cpython-313.opt-1.pyc
- test_asym_box.cpython-313.pyc
- test_bulk.cpython-313.opt-1.pyc
- test_bulk.cpython-313.pyc
- test_guc_force.cpython-313.opt-1.pyc
- test_guc_force.cpython-313.pyc
- test_hydrogen.cpython-313.opt-1.pyc
- test_hydrogen.cpython-313.pyc
- test_mixer.cpython-313.opt-1.pyc
- test_mixer.cpython-313.pyc
- test_move_across_cell.cpython-313.opt-1.pyc
- test_move_across_cell.cpython-313.pyc
- test_proton.cpython-313.opt-1.pyc
- test_proton.cpython-313.pyc
- test_relax.cpython-313.opt-1.pyc
- test_relax.cpython-313.pyc
- test_si.cpython-313.opt-1.pyc
- test_si.cpython-313.pyc
- test_si_primitive.cpython-313.opt-1.pyc
- test_si_primitive.cpython-313.pyc
- test_2Al.py
- test_8Si.py
- test_Cl_minus.py
- test_Cu.py
- test_H_force.py
- test_IP_oxygen.py
- test_al_chain.py
- test_asym_box.py
- test_bulk.py
- test_guc_force.py
- test_hydrogen.py
- test_mixer.py
- test_move_across_cell.py
- test_proton.py
- test_relax.py
- test_si.py
- test_si_primitive.py
- gllb/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_atomic.cpython-313.opt-1.pyc
- test_atomic.cpython-313.pyc
- test_diamond.cpython-313.opt-1.pyc
- test_diamond.cpython-313.pyc
- test_gllbghost.cpython-313.opt-1.pyc
- test_gllbghost.cpython-313.pyc
- test_metallic.cpython-313.opt-1.pyc
- test_metallic.cpython-313.pyc
- test_ne.cpython-313.opt-1.pyc
- test_ne.cpython-313.pyc
- test_ne_disc.cpython-313.opt-1.pyc
- test_ne_disc.cpython-313.pyc
- test_response.cpython-313.opt-1.pyc
- test_response.cpython-313.pyc
- test_restart_eigenvalues.cpython-313.opt-1.pyc
- test_restart_eigenvalues.cpython-313.pyc
- test_spin.cpython-313.opt-1.pyc
- test_spin.cpython-313.pyc
- test_variants.cpython-313.opt-1.pyc
- test_variants.cpython-313.pyc
- test_atomic.py
- test_diamond.py
- test_gllbghost.py
- test_metallic.py
- test_ne.py
- test_ne_disc.py
- test_response.py
- test_restart_eigenvalues.py
- test_spin.py
- test_variants.py
- gpu/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_acf.cpython-313.opt-1.pyc
- test_acf.cpython-313.pyc
- test_amend_insert.cpython-313.opt-1.pyc
- test_amend_insert.cpython-313.pyc
- test_apply_local_pot.cpython-313.opt-1.pyc
- test_apply_local_pot.cpython-313.pyc
- test_blas.cpython-313.opt-1.pyc
- test_blas.cpython-313.pyc
- test_cpupy.cpython-313.opt-1.pyc
- test_cpupy.cpython-313.pyc
- test_fd_laplace.cpython-313.opt-1.pyc
- test_fd_laplace.cpython-313.pyc
- test_fd_transformers.cpython-313.opt-1.pyc
- test_fd_transformers.cpython-313.pyc
- test_matrix.cpython-313.opt-1.pyc
- test_matrix.cpython-313.pyc
- test_mpi.cpython-313.opt-1.pyc
- test_mpi.cpython-313.pyc
- test_poisson.cpython-313.opt-1.pyc
- test_poisson.cpython-313.pyc
- test_precondition.cpython-313.opt-1.pyc
- test_precondition.cpython-313.pyc
- test_pw.cpython-313.opt-1.pyc
- test_pw.cpython-313.pyc
- test_xc_gpu.cpython-313.opt-1.pyc
- test_xc_gpu.cpython-313.pyc
- test_acf.py
- test_amend_insert.py
- test_apply_local_pot.py
- test_blas.py
- test_cpupy.py
- test_fd_laplace.py
- test_fd_transformers.py
- test_matrix.py
- test_mpi.py
- test_poisson.py
- test_precondition.py
- test_pw.py
- test_xc_gpu.py
- gpwfile.py
- lcao/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_analyse_basis.cpython-313.opt-1.pyc
- test_analyse_basis.cpython-313.pyc
- test_atomic_corrections.cpython-313.opt-1.pyc
- test_atomic_corrections.cpython-313.pyc
- test_bsse.cpython-313.opt-1.pyc
- test_bsse.cpython-313.pyc
- test_bulk.cpython-313.opt-1.pyc
- test_bulk.cpython-313.pyc
- test_density.cpython-313.opt-1.pyc
- test_density.cpython-313.pyc
- test_dipole_transition.cpython-313.opt-1.pyc
- test_dipole_transition.cpython-313.pyc
- test_dipole_transition2.cpython-313.opt-1.pyc
- test_dipole_transition2.cpython-313.pyc
- test_dos.cpython-313.opt-1.pyc
- test_dos.cpython-313.pyc
- test_fd2lcao_restart.cpython-313.opt-1.pyc
- test_fd2lcao_restart.cpython-313.pyc
- test_fftmixer.cpython-313.opt-1.pyc
- test_fftmixer.cpython-313.pyc
- test_force.cpython-313.opt-1.pyc
- test_force.cpython-313.pyc
- test_generate_ngto.cpython-313.opt-1.pyc
- test_generate_ngto.cpython-313.pyc
- test_gllb_si.cpython-313.opt-1.pyc
- test_gllb_si.cpython-313.pyc
- test_h2o.cpython-313.opt-1.pyc
- test_h2o.cpython-313.pyc
- test_kpts_many_combinations.cpython-313.opt-1.pyc
- test_kpts_many_combinations.cpython-313.pyc
- test_largecellforce.cpython-313.opt-1.pyc
- test_largecellforce.cpython-313.pyc
- test_lcao_complicated.cpython-313.opt-1.pyc
- test_lcao_complicated.cpython-313.pyc
- test_lcao_elpa.cpython-313.opt-1.pyc
- test_lcao_elpa.cpython-313.pyc
- test_lcao_elpa_kpts.cpython-313.opt-1.pyc
- test_lcao_elpa_kpts.cpython-313.pyc
- test_lcao_hamiltonian.cpython-313.opt-1.pyc
- test_lcao_hamiltonian.cpython-313.pyc
- test_lcao_parallel.cpython-313.opt-1.pyc
- test_lcao_parallel.cpython-313.pyc
- test_lcao_parallel_kpt.cpython-313.opt-1.pyc
- test_lcao_parallel_kpt.cpython-313.pyc
- test_lcao_projections.cpython-313.opt-1.pyc
- test_lcao_projections.cpython-313.pyc
- test_local_orbitals.cpython-313.opt-1.pyc
- test_local_orbitals.cpython-313.pyc
- test_pair_and_coulomb.cpython-313.opt-1.pyc
- test_pair_and_coulomb.cpython-313.pyc
- test_scissors.cpython-313.opt-1.pyc
- test_scissors.cpython-313.pyc
- test_single_h_atom.cpython-313.opt-1.pyc
- test_single_h_atom.cpython-313.pyc
- test_wf_restart.cpython-313.opt-1.pyc
- test_wf_restart.cpython-313.pyc
- test_analyse_basis.py
- test_atomic_corrections.py
- test_bsse.py
- test_bulk.py
- test_density.py
- test_dipole_transition.py
- test_dipole_transition2.py
- test_dos.py
- test_fd2lcao_restart.py
- test_fftmixer.py
- test_force.py
- test_generate_ngto.py
- test_gllb_si.py
- test_h2o.py
- test_kpts_many_combinations.py
- test_largecellforce.py
- test_lcao_complicated.py
- test_lcao_elpa.py
- test_lcao_elpa_kpts.py
- test_lcao_hamiltonian.py
- test_lcao_parallel.py
- test_lcao_parallel_kpt.py
- test_lcao_projections.py
- test_local_orbitals.py
- test_pair_and_coulomb.py
- test_scissors.py
- test_single_h_atom.py
- test_wf_restart.py
- lcaotddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- demo_tddft.cpython-313.opt-1.pyc
- demo_tddft.cpython-313.pyc
- test_circular_dichroism.cpython-313.opt-1.pyc
- test_circular_dichroism.cpython-313.pyc
- test_fxc_is_xc.cpython-313.opt-1.pyc
- test_fxc_is_xc.cpython-313.pyc
- test_fxc_rpa.cpython-313.opt-1.pyc
- test_fxc_rpa.cpython-313.pyc
- test_fxc_vs_linearize.cpython-313.opt-1.pyc
- test_fxc_vs_linearize.cpython-313.pyc
- test_laser.cpython-313.opt-1.pyc
- test_laser.cpython-313.pyc
- test_lcaotddft_vs_lrtddft.cpython-313.opt-1.pyc
- test_lcaotddft_vs_lrtddft.cpython-313.pyc
- test_lcaotddft_vs_lrtddft2_rpa.cpython-313.opt-1.pyc
- test_lcaotddft_vs_lrtddft2_rpa.cpython-313.pyc
- test_molecule.cpython-313.opt-1.pyc
- test_molecule.cpython-313.pyc
- test_periodic.cpython-313.opt-1.pyc
- test_periodic.cpython-313.pyc
- test_replay.cpython-313.opt-1.pyc
- test_replay.cpython-313.pyc
- test_restart.cpython-313.opt-1.pyc
- test_restart.cpython-313.pyc
- test_rremission.cpython-313.opt-1.pyc
- test_rremission.cpython-313.pyc
- test_simple.cpython-313.opt-1.pyc
- test_simple.cpython-313.pyc
- demo_tddft.py
- test_circular_dichroism.py
- test_fxc_is_xc.py
- test_fxc_rpa.py
- test_fxc_vs_linearize.py
- test_laser.py
- test_lcaotddft_vs_lrtddft.py
- test_lcaotddft_vs_lrtddft2_rpa.py
- test_molecule.py
- test_periodic.py
- test_replay.py
- test_restart.py
- test_rremission.py
- test_simple.py
- lfc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_derivatives.cpython-313.opt-1.pyc
- test_derivatives.cpython-313.pyc
- test_lf.cpython-313.opt-1.pyc
- test_lf.cpython-313.pyc
- test_second_derivative.cpython-313.opt-1.pyc
- test_second_derivative.cpython-313.pyc
- test_derivatives.py
- test_lf.py
- test_second_derivative.py
- linalg/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_blas.cpython-313.opt-1.pyc
- test_blas.cpython-313.pyc
- test_dot.cpython-313.opt-1.pyc
- test_dot.cpython-313.pyc
- test_gemm.cpython-313.opt-1.pyc
- test_gemm.cpython-313.pyc
- test_gemm_complex.cpython-313.opt-1.pyc
- test_gemm_complex.cpython-313.pyc
- test_lapack.cpython-313.opt-1.pyc
- test_lapack.cpython-313.pyc
- test_mmm.cpython-313.opt-1.pyc
- test_mmm.cpython-313.pyc
- test_zher.cpython-313.opt-1.pyc
- test_zher.cpython-313.pyc
- test_blas.py
- test_dot.py
- test_gemm.py
- test_gemm_complex.py
- test_lapack.py
- test_mmm.py
- test_zher.py
- lrtddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- conftest.cpython-313.opt-1.pyc
- conftest.cpython-313.pyc
- test_1.cpython-313.opt-1.pyc
- test_1.cpython-313.pyc
- test_2.cpython-313.opt-1.pyc
- test_2.cpython-313.pyc
- test_3.cpython-313.opt-1.pyc
- test_3.cpython-313.pyc
- test_apmb.cpython-313.opt-1.pyc
- test_apmb.cpython-313.pyc
- test_dielectric.cpython-313.opt-1.pyc
- test_dielectric.cpython-313.pyc
- test_excited_state.cpython-313.opt-1.pyc
- test_excited_state.cpython-313.pyc
- test_kssingles.cpython-313.opt-1.pyc
- test_kssingles.cpython-313.pyc
- test_kssingles_Be.cpython-313.opt-1.pyc
- test_kssingles_Be.cpython-313.pyc
- test_lrtddft2.cpython-313.opt-1.pyc
- test_lrtddft2.cpython-313.pyc
- test_lrtddft_basics.cpython-313.opt-1.pyc
- test_lrtddft_basics.cpython-313.pyc
- test_lrtddft_log.cpython-313.opt-1.pyc
- test_lrtddft_log.cpython-313.pyc
- test_pes.cpython-313.opt-1.pyc
- test_pes.cpython-313.pyc
- test_placzek_profeta_albrecht.cpython-313.opt-1.pyc
- test_placzek_profeta_albrecht.cpython-313.pyc
- test_rpa.cpython-313.opt-1.pyc
- test_rpa.cpython-313.pyc
- test_rraman.cpython-313.opt-1.pyc
- test_rraman.cpython-313.pyc
- test_select.cpython-313.opt-1.pyc
- test_select.cpython-313.pyc
- conftest.py
- test_1.py
- test_2.py
- test_3.py
- test_apmb.py
- test_dielectric.py
- test_excited_state.py
- test_kssingles.py
- test_kssingles_Be.py
- test_lrtddft2.py
- test_lrtddft_basics.py
- test_lrtddft_log.py
- test_pes.py
- test_placzek_profeta_albrecht.py
- test_rpa.py
- test_rraman.py
- test_select.py
- lrtddft2/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_Al2.cpython-313.opt-1.pyc
- test_Al2.cpython-313.pyc
- test_H2O-lcao.cpython-313.opt-1.pyc
- test_H2O-lcao.cpython-313.pyc
- test_parameters.cpython-313.opt-1.pyc
- test_parameters.cpython-313.pyc
- test_Al2.py
- test_H2O-lcao.py
- test_parameters.py
- maths/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_fftw.cpython-313.opt-1.pyc
- test_fftw.cpython-313.pyc
- test_fsbt.cpython-313.opt-1.pyc
- test_fsbt.cpython-313.pyc
- test_fftw.py
- test_fsbt.py
- mgga/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_mgga_restart.cpython-313.opt-1.pyc
- test_mgga_restart.cpython-313.pyc
- test_mgga_sc.cpython-313.opt-1.pyc
- test_mgga_sc.cpython-313.pyc
- test_nsc_MGGA.cpython-313.opt-1.pyc
- test_nsc_MGGA.cpython-313.pyc
- test_symm.cpython-313.opt-1.pyc
- test_symm.cpython-313.pyc
- test_mgga_restart.py
- test_mgga_sc.py
- test_nsc_MGGA.py
- test_symm.py
- mmefile.py
- mom/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_mom_fd_energy.cpython-313.opt-1.pyc
- test_mom_fd_energy.cpython-313.pyc
- test_mom_lcao_forces.cpython-313.opt-1.pyc
- test_mom_lcao_forces.cpython-313.pyc
- test_mom_lcao_smearing.cpython-313.opt-1.pyc
- test_mom_lcao_smearing.cpython-313.pyc
- test_mom_fd_energy.py
- test_mom_lcao_forces.py
- test_mom_lcao_smearing.py
- noncollinear/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_complex_densmat.cpython-313.opt-1.pyc
- test_complex_densmat.cpython-313.pyc
- test_kinetic_energy.cpython-313.opt-1.pyc
- test_kinetic_energy.cpython-313.pyc
- test_o2.cpython-313.opt-1.pyc
- test_o2.cpython-313.pyc
- test_rad_pot.cpython-313.opt-1.pyc
- test_rad_pot.cpython-313.pyc
- test_soc.cpython-313.opt-1.pyc
- test_soc.cpython-313.pyc
- test_complex_densmat.py
- test_kinetic_energy.py
- test_o2.py
- test_rad_pot.py
- test_soc.py
- ofdft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_ofdft.cpython-313.opt-1.pyc
- test_ofdft.cpython-313.pyc
- test_ofdft_pbc.cpython-313.opt-1.pyc
- test_ofdft_pbc.cpython-313.pyc
- test_ofdft_scale.cpython-313.opt-1.pyc
- test_ofdft_scale.cpython-313.pyc
- test_ofdft.py
- test_ofdft_pbc.py
- test_ofdft_scale.py
- parallel/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- scalapack_pdlasrt_hang.cpython-313.opt-1.pyc
- scalapack_pdlasrt_hang.cpython-313.pyc
- test_arraydict_redist.cpython-313.opt-1.pyc
- test_arraydict_redist.cpython-313.pyc
- test_augment_grid.cpython-313.opt-1.pyc
- test_augment_grid.cpython-313.pyc
- test_blacsdist.cpython-313.opt-1.pyc
- test_blacsdist.cpython-313.pyc
- test_compare.cpython-313.opt-1.pyc
- test_compare.cpython-313.pyc
- test_davidson_scalapack.cpython-313.opt-1.pyc
- test_davidson_scalapack.cpython-313.pyc
- test_diamond_gllb.cpython-313.opt-1.pyc
- test_diamond_gllb.cpython-313.pyc
- test_fd_parallel.cpython-313.opt-1.pyc
- test_fd_parallel.cpython-313.pyc
- test_fd_parallel_kpt.cpython-313.opt-1.pyc
- test_fd_parallel_kpt.cpython-313.pyc
- test_kptpar.cpython-313.opt-1.pyc
- test_kptpar.cpython-313.pyc
- test_mkl_scalapack_eig.cpython-313.opt-1.pyc
- test_mkl_scalapack_eig.cpython-313.pyc
- test_mpi.cpython-313.opt-1.pyc
- test_mpi.cpython-313.pyc
- test_parallel_eigh.cpython-313.opt-1.pyc
- test_parallel_eigh.cpython-313.pyc
- test_pblas.cpython-313.opt-1.pyc
- test_pblas.cpython-313.pyc
- test_redistribute_grid.cpython-313.opt-1.pyc
- test_redistribute_grid.cpython-313.pyc
- test_scalapack.cpython-313.opt-1.pyc
- test_scalapack.cpython-313.pyc
- test_scalapack_diag_simple.cpython-313.opt-1.pyc
- test_scalapack_diag_simple.cpython-313.pyc
- test_scalapack_mpirecv_crash.cpython-313.opt-1.pyc
- test_scalapack_mpirecv_crash.cpython-313.pyc
- test_submatrix_redist.cpython-313.opt-1.pyc
- test_submatrix_redist.cpython-313.pyc
- scalapack_pdlasrt_hang.py
- test_arraydict_redist.py
- test_augment_grid.py
- test_blacsdist.py
- test_compare.py
- test_davidson_scalapack.py
- test_diamond_gllb.py
- test_fd_parallel.py
- test_fd_parallel_kpt.py
- test_kptpar.py
- test_mkl_scalapack_eig.py
- test_mpi.py
- test_parallel_eigh.py
- test_pblas.py
- test_redistribute_grid.py
- test_scalapack.py
- test_scalapack_diag_simple.py
- test_scalapack_mpirecv_crash.py
- test_submatrix_redist.py
- pathological/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_LDA_unstable.cpython-313.opt-1.pyc
- test_LDA_unstable.cpython-313.pyc
- test_lcao_spos_derivative.cpython-313.opt-1.pyc
- test_lcao_spos_derivative.cpython-313.pyc
- test_LDA_unstable.py
- test_lcao_spos_derivative.py
- pipekmezey/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_pm_Hchain.cpython-313.opt-1.pyc
- test_pm_Hchain.cpython-313.pyc
- test_pm_fd.cpython-313.opt-1.pyc
- test_pm_fd.cpython-313.pyc
- test_pm_lcao.cpython-313.opt-1.pyc
- test_pm_lcao.cpython-313.pyc
- test_pm_lcao_hirshfeld.cpython-313.opt-1.pyc
- test_pm_lcao_hirshfeld.cpython-313.pyc
- test_pm_pw.cpython-313.opt-1.pyc
- test_pm_pw.cpython-313.pyc
- test_pm_spin.cpython-313.opt-1.pyc
- test_pm_spin.cpython-313.pyc
- test_pm_Hchain.py
- test_pm_fd.py
- test_pm_lcao.py
- test_pm_lcao_hirshfeld.py
- test_pm_pw.py
- test_pm_spin.py
- poisson/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_bloechl.cpython-313.opt-1.pyc
- test_bloechl.cpython-313.pyc
- test_fastpoisson.cpython-313.opt-1.pyc
- test_fastpoisson.cpython-313.pyc
- test_metallic_poisson.cpython-313.opt-1.pyc
- test_metallic_poisson.cpython-313.pyc
- test_poisson.cpython-313.opt-1.pyc
- test_poisson.cpython-313.pyc
- test_poisson_asym.cpython-313.opt-1.pyc
- test_poisson_asym.cpython-313.pyc
- test_poisson_cell_change.cpython-313.opt-1.pyc
- test_poisson_cell_change.cpython-313.pyc
- test_poisson_extravacuum.cpython-313.opt-1.pyc
- test_poisson_extravacuum.cpython-313.pyc
- test_poisson_moment.cpython-313.opt-1.pyc
- test_poisson_moment.cpython-313.pyc
- test_poisson_restart.cpython-313.opt-1.pyc
- test_poisson_restart.cpython-313.pyc
- test_pw_charged.cpython-313.opt-1.pyc
- test_pw_charged.cpython-313.pyc
- test_screened_poisson.cpython-313.opt-1.pyc
- test_screened_poisson.cpython-313.pyc
- test_bloechl.py
- test_fastpoisson.py
- test_metallic_poisson.py
- test_poisson.py
- test_poisson_asym.py
- test_poisson_cell_change.py
- test_poisson_extravacuum.py
- test_poisson_moment.py
- test_poisson_restart.py
- test_pw_charged.py
- test_screened_poisson.py
- pseudopotential/
- H_pz_hgh.py
- H_sg15.py
- O_pz_hgh.py
- __init__.py
- __pycache__/
- H_pz_hgh.cpython-313.opt-1.pyc
- H_pz_hgh.cpython-313.pyc
- H_sg15.cpython-313.opt-1.pyc
- H_sg15.cpython-313.pyc
- O_pz_hgh.cpython-313.opt-1.pyc
- O_pz_hgh.cpython-313.pyc
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_ah.cpython-313.opt-1.pyc
- test_ah.cpython-313.pyc
- test_atompaw.cpython-313.opt-1.pyc
- test_atompaw.cpython-313.pyc
- test_hgh_h2o.cpython-313.opt-1.pyc
- test_hgh_h2o.cpython-313.pyc
- test_sg15_hydrogen.cpython-313.opt-1.pyc
- test_sg15_hydrogen.cpython-313.pyc
- test_sg15_ni.cpython-313.opt-1.pyc
- test_sg15_ni.cpython-313.pyc
- test_upf_h2o.cpython-313.opt-1.pyc
- test_upf_h2o.cpython-313.pyc
- test_ah.py
- test_atompaw.py
- test_hgh_h2o.py
- test_sg15_hydrogen.py
- test_sg15_ni.py
- test_upf_h2o.py
- pw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_augment_grids.cpython-313.opt-1.pyc
- test_augment_grids.cpython-313.pyc
- test_bulk.cpython-313.opt-1.pyc
- test_bulk.cpython-313.pyc
- test_davidson_pw.cpython-313.opt-1.pyc
- test_davidson_pw.cpython-313.pyc
- test_direct.cpython-313.opt-1.pyc
- test_direct.cpython-313.pyc
- test_electrostatic_potential.cpython-313.opt-1.pyc
- test_electrostatic_potential.cpython-313.pyc
- test_expert_diag.cpython-313.opt-1.pyc
- test_expert_diag.cpython-313.pyc
- test_fe_stress_mgga.cpython-313.opt-1.pyc
- test_fe_stress_mgga.cpython-313.pyc
- test_fftmixer.cpython-313.opt-1.pyc
- test_fftmixer.cpython-313.pyc
- test_fulldiag.cpython-313.opt-1.pyc
- test_fulldiag.cpython-313.pyc
- test_fulldiag_mgga.cpython-313.opt-1.pyc
- test_fulldiag_mgga.cpython-313.pyc
- test_fulldiagk.cpython-313.opt-1.pyc
- test_fulldiagk.cpython-313.pyc
- test_h.cpython-313.opt-1.pyc
- test_h.cpython-313.pyc
- test_interpol.cpython-313.opt-1.pyc
- test_interpol.cpython-313.pyc
- test_lfc.cpython-313.opt-1.pyc
- test_lfc.cpython-313.pyc
- test_moleculecg.cpython-313.opt-1.pyc
- test_moleculecg.cpython-313.pyc
- test_par_strategies.cpython-313.opt-1.pyc
- test_par_strategies.cpython-313.pyc
- test_reallfc.cpython-313.opt-1.pyc
- test_reallfc.cpython-313.pyc
- test_si_stress.cpython-313.opt-1.pyc
- test_si_stress.cpython-313.pyc
- test_si_stress_mgga.cpython-313.opt-1.pyc
- test_si_stress_mgga.cpython-313.pyc
- test_slab.cpython-313.opt-1.pyc
- test_slab.cpython-313.pyc
- test_smallanglecell.cpython-313.opt-1.pyc
- test_smallanglecell.cpython-313.pyc
- test_stresstest.cpython-313.opt-1.pyc
- test_stresstest.cpython-313.pyc
- test_augment_grids.py
- test_bulk.py
- test_davidson_pw.py
- test_direct.py
- test_electrostatic_potential.py
- test_expert_diag.py
- test_fe_stress_mgga.py
- test_fftmixer.py
- test_fulldiag.py
- test_fulldiag_mgga.py
- test_fulldiagk.py
- test_h.py
- test_interpol.py
- test_lfc.py
- test_moleculecg.py
- test_par_strategies.py
- test_reallfc.py
- test_si_stress.py
- test_si_stress_mgga.py
- test_slab.py
- test_smallanglecell.py
- test_stresstest.py
- radial/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_integral4.cpython-313.opt-1.pyc
- test_integral4.cpython-313.pyc
- test_lebedev.cpython-313.opt-1.pyc
- test_lebedev.cpython-313.pyc
- test_pseudize.cpython-313.opt-1.pyc
- test_pseudize.cpython-313.pyc
- test_two_phi_plw_integrals.cpython-313.opt-1.pyc
- test_two_phi_plw_integrals.cpython-313.pyc
- test_ylexpand.cpython-313.opt-1.pyc
- test_ylexpand.cpython-313.pyc
- test_yukawa_radial.cpython-313.opt-1.pyc
- test_yukawa_radial.cpython-313.pyc
- test_integral4.py
- test_lebedev.py
- test_pseudize.py
- test_two_phi_plw_integrals.py
- test_ylexpand.py
- test_yukawa_radial.py
- ralda/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_pbe_deriv.cpython-313.opt-1.pyc
- test_pbe_deriv.cpython-313.pyc
- test_ralda_H2.cpython-313.opt-1.pyc
- test_ralda_H2.cpython-313.pyc
- test_ralda_He.cpython-313.opt-1.pyc
- test_ralda_He.cpython-313.pyc
- test_ralda_Ni.cpython-313.opt-1.pyc
- test_ralda_Ni.cpython-313.pyc
- test_pbe_deriv.py
- test_ralda_H2.py
- test_ralda_He.py
- test_ralda_Ni.py
- response/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- mpa_interpolation_scalar.cpython-313.opt-1.pyc
- mpa_interpolation_scalar.cpython-313.pyc
- test_Na_EELS_RPA_tetra_point_comparison.cpython-313.opt-1.pyc
- test_Na_EELS_RPA_tetra_point_comparison.cpython-313.pyc
- test_WGG_GaAs.cpython-313.opt-1.pyc
- test_WGG_GaAs.cpython-313.pyc
- test_afm_hchain_sf_gssALDA.cpython-313.opt-1.pyc
- test_afm_hchain_sf_gssALDA.cpython-313.pyc
- test_aluminum_EELS_ALDA.cpython-313.opt-1.pyc
- test_aluminum_EELS_ALDA.cpython-313.pyc
- test_aluminum_EELS_RPA.cpython-313.opt-1.pyc
- test_aluminum_EELS_RPA.cpython-313.pyc
- test_au02_absorption.cpython-313.opt-1.pyc
- test_au02_absorption.cpython-313.pyc
- test_bse_MoS2_cut.cpython-313.opt-1.pyc
- test_bse_MoS2_cut.cpython-313.pyc
- test_bse_aluminum.cpython-313.opt-1.pyc
- test_bse_aluminum.cpython-313.pyc
- test_bse_exclude_states.cpython-313.opt-1.pyc
- test_bse_exclude_states.cpython-313.pyc
- test_bse_h_spinpol.cpython-313.opt-1.pyc
- test_bse_h_spinpol.cpython-313.pyc
- test_bse_magnon.cpython-313.opt-1.pyc
- test_bse_magnon.cpython-313.pyc
- test_bse_parallel_delete.cpython-313.opt-1.pyc
- test_bse_parallel_delete.cpython-313.pyc
- test_bse_parse_bands.cpython-313.opt-1.pyc
- test_bse_parse_bands.cpython-313.pyc
- test_bse_silicon.cpython-313.opt-1.pyc
- test_bse_silicon.cpython-313.pyc
- test_chi0.cpython-313.opt-1.pyc
- test_chi0.cpython-313.pyc
- test_chi0_intraband.cpython-313.opt-1.pyc
- test_chi0_intraband.cpython-313.pyc
- test_chi0_update.cpython-313.opt-1.pyc
- test_chi0_update.cpython-313.pyc
- test_chiks.cpython-313.opt-1.pyc
- test_chiks.cpython-313.pyc
- test_cobalt_sf_gssALDA.cpython-313.opt-1.pyc
- test_cobalt_sf_gssALDA.cpython-313.pyc
- test_cobalt_sf_gsspawALDA.cpython-313.opt-1.pyc
- test_cobalt_sf_gsspawALDA.cpython-313.pyc
- test_compare_inputs.cpython-313.opt-1.pyc
- test_compare_inputs.cpython-313.pyc
- test_coulomb.cpython-313.opt-1.pyc
- test_coulomb.cpython-313.pyc
- test_diamond_absorption.cpython-313.opt-1.pyc
- test_diamond_absorption.cpython-313.pyc
- test_goldstone.cpython-313.opt-1.pyc
- test_goldstone.cpython-313.pyc
- test_graphene.cpython-313.opt-1.pyc
- test_graphene.cpython-313.pyc
- test_graphene_EELS.cpython-313.opt-1.pyc
- test_graphene_EELS.cpython-313.pyc
- test_gs_sym_off.cpython-313.opt-1.pyc
- test_gs_sym_off.cpython-313.pyc
- test_gw_MoS2_cut.cpython-313.opt-1.pyc
- test_gw_MoS2_cut.cpython-313.pyc
- test_gw_anisotropic_sic.cpython-313.opt-1.pyc
- test_gw_anisotropic_sic.cpython-313.pyc
- test_gw_hBN_extrapolate.cpython-313.opt-1.pyc
- test_gw_hBN_extrapolate.cpython-313.pyc
- test_gw_mpa.cpython-313.opt-1.pyc
- test_gw_mpa.cpython-313.pyc
- test_gw_mpa_C.cpython-313.opt-1.pyc
- test_gw_mpa_C.cpython-313.pyc
- test_gw_ppa.cpython-313.opt-1.pyc
- test_gw_ppa.cpython-313.pyc
- test_gw_restart_file.cpython-313.opt-1.pyc
- test_gw_restart_file.cpython-313.pyc
- test_gw_sg15.cpython-313.opt-1.pyc
- test_gw_sg15.cpython-313.pyc
- test_gw_si.cpython-313.opt-1.pyc
- test_gw_si.cpython-313.pyc
- test_gw_spinpol.cpython-313.opt-1.pyc
- test_gw_spinpol.cpython-313.pyc
- test_gw_too.cpython-313.opt-1.pyc
- test_gw_too.cpython-313.pyc
- test_gw_vertex.cpython-313.opt-1.pyc
- test_gw_vertex.cpython-313.pyc
- test_hchain_supercell.cpython-313.opt-1.pyc
- test_hchain_supercell.cpython-313.pyc
- test_heisenberg.cpython-313.opt-1.pyc
- test_heisenberg.cpython-313.pyc
- test_hubbard.cpython-313.opt-1.pyc
- test_hubbard.cpython-313.pyc
- test_iron_sf_ALDA.cpython-313.opt-1.pyc
- test_iron_sf_ALDA.cpython-313.pyc
- test_iron_sf_gssALDA.cpython-313.opt-1.pyc
- test_iron_sf_gssALDA.cpython-313.pyc
- test_iron_sf_pawALDA.cpython-313.opt-1.pyc
- test_iron_sf_pawALDA.cpython-313.pyc
- test_jdos.cpython-313.opt-1.pyc
- test_jdos.cpython-313.pyc
- test_localft.cpython-313.opt-1.pyc
- test_localft.cpython-313.pyc
- test_mft.cpython-313.opt-1.pyc
- test_mft.cpython-313.pyc
- test_model_interaction.cpython-313.opt-1.pyc
- test_model_interaction.cpython-313.pyc
- test_mos2_polarizability.cpython-313.opt-1.pyc
- test_mos2_polarizability.cpython-313.pyc
- test_mpa_interpolation.cpython-313.opt-1.pyc
- test_mpa_interpolation.cpython-313.pyc
- test_mpa_poly_C.cpython-313.opt-1.pyc
- test_mpa_poly_C.cpython-313.pyc
- test_mpa_sampling.cpython-313.opt-1.pyc
- test_mpa_sampling.cpython-313.pyc
- test_mpa_vectorization.cpython-313.opt-1.pyc
- test_mpa_vectorization.cpython-313.pyc
- test_na_plasmon.cpython-313.opt-1.pyc
- test_na_plasmon.cpython-313.pyc
- test_na_plasmons.cpython-313.opt-1.pyc
- test_na_plasmons.cpython-313.pyc
- test_na_plasmons_tetrahedron.cpython-313.opt-1.pyc
- test_na_plasmons_tetrahedron.cpython-313.pyc
- test_nicl2_pair_potential.cpython-313.opt-1.pyc
- test_nicl2_pair_potential.cpython-313.pyc
- test_nicl2_sf_gssALDA.cpython-313.opt-1.pyc
- test_nicl2_sf_gssALDA.cpython-313.pyc
- test_parallel_kptpair_extraction.cpython-313.opt-1.pyc
- test_parallel_kptpair_extraction.cpython-313.pyc
- test_parallelization.cpython-313.opt-1.pyc
- test_parallelization.cpython-313.pyc
- test_paw.cpython-313.opt-1.pyc
- test_paw.cpython-313.pyc
- test_pdens_tool.cpython-313.opt-1.pyc
- test_pdens_tool.cpython-313.pyc
- test_qeh.cpython-313.opt-1.pyc
- test_qeh.cpython-313.pyc
- test_response_band_cutoff.cpython-313.opt-1.pyc
- test_response_band_cutoff.cpython-313.pyc
- test_silicon_chi.cpython-313.opt-1.pyc
- test_silicon_chi.cpython-313.pyc
- test_site_data.cpython-313.opt-1.pyc
- test_site_data.cpython-313.pyc
- test_site_kernels.cpython-313.opt-1.pyc
- test_site_kernels.cpython-313.pyc
- test_tetra_point_smoothing.cpython-313.opt-1.pyc
- test_tetra_point_smoothing.cpython-313.pyc
- test_two-aluminum_chi_RPA.cpython-313.opt-1.pyc
- test_two-aluminum_chi_RPA.cpython-313.pyc
- test_two_phi_integrals.cpython-313.opt-1.pyc
- test_two_phi_integrals.cpython-313.pyc
- test_unit_sphere_area.cpython-313.opt-1.pyc
- test_unit_sphere_area.cpython-313.pyc
- test_wgg_factorization.cpython-313.opt-1.pyc
- test_wgg_factorization.cpython-313.pyc
- mpa_interpolation_scalar.py
- test_Na_EELS_RPA_tetra_point_comparison.py
- test_WGG_GaAs.py
- test_afm_hchain_sf_gssALDA.py
- test_aluminum_EELS_ALDA.py
- test_aluminum_EELS_RPA.py
- test_au02_absorption.py
- test_bse_MoS2_cut.py
- test_bse_aluminum.py
- test_bse_exclude_states.py
- test_bse_h_spinpol.py
- test_bse_magnon.py
- test_bse_parallel_delete.py
- test_bse_parse_bands.py
- test_bse_silicon.py
- test_chi0.py
- test_chi0_intraband.py
- test_chi0_update.py
- test_chiks.py
- test_cobalt_sf_gssALDA.py
- test_cobalt_sf_gsspawALDA.py
- test_compare_inputs.py
- test_coulomb.py
- test_diamond_absorption.py
- test_goldstone.py
- test_graphene.py
- test_graphene_EELS.py
- test_gs_sym_off.py
- test_gw_MoS2_cut.py
- test_gw_anisotropic_sic.py
- test_gw_hBN_extrapolate.py
- test_gw_mpa.py
- test_gw_mpa_C.py
- test_gw_ppa.py
- test_gw_restart_file.py
- test_gw_sg15.py
- test_gw_si.py
- test_gw_spinpol.py
- test_gw_too.py
- test_gw_vertex.py
- test_hchain_supercell.py
- test_heisenberg.py
- test_hubbard.py
- test_iron_sf_ALDA.py
- test_iron_sf_gssALDA.py
- test_iron_sf_pawALDA.py
- test_jdos.py
- test_localft.py
- test_mft.py
- test_model_interaction.py
- test_mos2_polarizability.py
- test_mpa_interpolation.py
- test_mpa_poly_C.py
- test_mpa_sampling.py
- test_mpa_vectorization.py
- test_na_plasmon.py
- test_na_plasmons.py
- test_na_plasmons_tetrahedron.py
- test_nicl2_pair_potential.py
- test_nicl2_sf_gssALDA.py
- test_parallel_kptpair_extraction.py
- test_parallelization.py
- test_paw.py
- test_pdens_tool.py
- test_qeh.py
- test_response_band_cutoff.py
- test_silicon_chi.py
- test_site_data.py
- test_site_kernels.py
- test_tetra_point_smoothing.py
- test_two-aluminum_chi_RPA.py
- test_two_phi_integrals.py
- test_unit_sphere_area.py
- test_wgg_factorization.py
- rpa/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_rpa_energy_N2.cpython-313.opt-1.pyc
- test_rpa_energy_N2.cpython-313.pyc
- test_rpa_energy_Na.cpython-313.opt-1.pyc
- test_rpa_energy_Na.cpython-313.pyc
- test_rpa_energy_Ni.cpython-313.opt-1.pyc
- test_rpa_energy_Ni.cpython-313.pyc
- test_rpa_energy_Si.cpython-313.opt-1.pyc
- test_rpa_energy_Si.cpython-313.pyc
- test_rpa_energy_N2.py
- test_rpa_energy_Na.py
- test_rpa_energy_Ni.py
- test_rpa_energy_Si.py
- rsf_yukawa/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_lrtddft_short.cpython-313.opt-1.pyc
- test_lrtddft_short.cpython-313.pyc
- test_rsf_general.cpython-313.opt-1.pyc
- test_rsf_general.cpython-313.pyc
- test_rsf_ivo_sing_mg.cpython-313.opt-1.pyc
- test_rsf_ivo_sing_mg.cpython-313.pyc
- test_lrtddft_short.py
- test_rsf_general.py
- test_rsf_ivo_sing_mg.py
- setups/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_derivative_integrals.cpython-313.opt-1.pyc
- test_derivative_integrals.cpython-313.pyc
- test_generator2.cpython-313.opt-1.pyc
- test_generator2.cpython-313.pyc
- test_setup_basis_spec.cpython-313.opt-1.pyc
- test_setup_basis_spec.cpython-313.pyc
- test_derivative_integrals.py
- test_generator2.py
- test_setup_basis_spec.py
- sic/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_fdsic.cpython-313.opt-1.pyc
- test_fdsic.cpython-313.pyc
- test_gmf_lcaosic.cpython-313.opt-1.pyc
- test_gmf_lcaosic.cpython-313.pyc
- test_lcaosic.cpython-313.opt-1.pyc
- test_lcaosic.cpython-313.pyc
- test_mom_lcaosic.cpython-313.opt-1.pyc
- test_mom_lcaosic.cpython-313.pyc
- test_mom_pwsic.cpython-313.opt-1.pyc
- test_mom_pwsic.cpython-313.pyc
- test_nscfsic.cpython-313.opt-1.pyc
- test_nscfsic.cpython-313.pyc
- test_pwsic.cpython-313.opt-1.pyc
- test_pwsic.cpython-313.pyc
- test_pz_localization_pw.cpython-313.opt-1.pyc
- test_pz_localization_pw.cpython-313.pyc
- test_scfsic_h2.cpython-313.opt-1.pyc
- test_scfsic_h2.cpython-313.pyc
- test_fdsic.py
- test_gmf_lcaosic.py
- test_lcaosic.py
- test_mom_lcaosic.py
- test_mom_pwsic.py
- test_nscfsic.py
- test_pwsic.py
- test_pz_localization_pw.py
- test_scfsic_h2.py
- solvation/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_adm12.cpython-313.opt-1.pyc
- test_adm12.cpython-313.pyc
- test_forces.cpython-313.opt-1.pyc
- test_forces.cpython-313.pyc
- test_forces_symmetry.cpython-313.opt-1.pyc
- test_forces_symmetry.cpython-313.pyc
- test_lrtddft.cpython-313.opt-1.pyc
- test_lrtddft.cpython-313.pyc
- test_nan_radius.cpython-313.opt-1.pyc
- test_nan_radius.cpython-313.pyc
- test_overlap.cpython-313.opt-1.pyc
- test_overlap.cpython-313.pyc
- test_pbc.cpython-313.opt-1.pyc
- test_pbc.cpython-313.pyc
- test_pbc_pos_repeat.cpython-313.opt-1.pyc
- test_pbc_pos_repeat.cpython-313.pyc
- test_poisson.cpython-313.opt-1.pyc
- test_poisson.cpython-313.pyc
- test_sfgcm06.cpython-313.opt-1.pyc
- test_sfgcm06.cpython-313.pyc
- test_sjm.cpython-313.opt-1.pyc
- test_sjm.cpython-313.pyc
- test_solvation_api.cpython-313.opt-1.pyc
- test_solvation_api.cpython-313.pyc
- test_spinpol.cpython-313.opt-1.pyc
- test_spinpol.cpython-313.pyc
- test_sss09.cpython-313.opt-1.pyc
- test_sss09.cpython-313.pyc
- test_swap_atoms.cpython-313.opt-1.pyc
- test_swap_atoms.cpython-313.pyc
- test_vacuum.cpython-313.opt-1.pyc
- test_vacuum.cpython-313.pyc
- test_water_water.cpython-313.opt-1.pyc
- test_water_water.cpython-313.pyc
- test_water_water_etdm_lcao.cpython-313.opt-1.pyc
- test_water_water_etdm_lcao.cpython-313.pyc
- test_adm12.py
- test_forces.py
- test_forces_symmetry.py
- test_lrtddft.py
- test_nan_radius.py
- test_overlap.py
- test_pbc.py
- test_pbc_pos_repeat.py
- test_poisson.py
- test_sfgcm06.py
- test_sjm.py
- test_solvation_api.py
- test_spinpol.py
- test_sss09.py
- test_swap_atoms.py
- test_vacuum.py
- test_water_water.py
- test_water_water_etdm_lcao.py
- spin/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_spinFe3plus.cpython-313.opt-1.pyc
- test_spinFe3plus.cpython-313.pyc
- test_spin_contamination.cpython-313.opt-1.pyc
- test_spin_contamination.cpython-313.pyc
- test_spinpol.cpython-313.opt-1.pyc
- test_spinpol.cpython-313.pyc
- test_spinFe3plus.py
- test_spin_contamination.py
- test_spinpol.py
- symmetry/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_check.cpython-313.opt-1.pyc
- test_check.cpython-313.pyc
- test_fractional_translation_grid_compatibility.cpython-313.opt-1.pyc
- test_fractional_translation_grid_compatibility.cpython-313.pyc
- test_fractional_translations.cpython-313.opt-1.pyc
- test_fractional_translations.cpython-313.pyc
- test_fractional_translations_big.cpython-313.opt-1.pyc
- test_fractional_translations_big.cpython-313.pyc
- test_fractional_translations_med.cpython-313.opt-1.pyc
- test_fractional_translations_med.cpython-313.pyc
- test_kpoint_mapping.cpython-313.opt-1.pyc
- test_kpoint_mapping.cpython-313.pyc
- test_symmetrize_wGG.cpython-313.opt-1.pyc
- test_symmetrize_wGG.cpython-313.pyc
- test_symmetry.cpython-313.opt-1.pyc
- test_symmetry.cpython-313.pyc
- test_symmetry_ft.cpython-313.opt-1.pyc
- test_symmetry_ft.cpython-313.pyc
- test_usesymm.cpython-313.opt-1.pyc
- test_usesymm.cpython-313.pyc
- test_usesymm2.cpython-313.opt-1.pyc
- test_usesymm2.cpython-313.pyc
- test_check.py
- test_fractional_translation_grid_compatibility.py
- test_fractional_translations.py
- test_fractional_translations_big.py
- test_fractional_translations_med.py
- test_kpoint_mapping.py
- test_symmetrize_wGG.py
- test_symmetry.py
- test_symmetry_ft.py
- test_usesymm.py
- test_usesymm2.py
- tddft/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_be_nltd_ip.cpython-313.opt-1.pyc
- test_be_nltd_ip.cpython-313.pyc
- test_ehrenfest_nacl.cpython-313.opt-1.pyc
- test_ehrenfest_nacl.cpython-313.pyc
- test_fxc_linearize.cpython-313.opt-1.pyc
- test_fxc_linearize.cpython-313.pyc
- test_molecule.cpython-313.opt-1.pyc
- test_molecule.cpython-313.pyc
- test_td_na2.cpython-313.opt-1.pyc
- test_td_na2.cpython-313.pyc
- test_be_nltd_ip.py
- test_ehrenfest_nacl.py
- test_fxc_linearize.py
- test_molecule.py
- test_td_na2.py
- test_AA_enthalpy.py
- test_Gauss.py
- test_ae.py
- test_aeatom.py
- test_aedensity.py
- test_atomic_el_pot.py
- test_atoms_mismatch.py
- test_atoms_too_close.py
- test_berryphase.py
- test_broadcast_imports.py
- test_broydenmixer.py
- test_cluster.py
- test_complete.py
- test_complex.py
- test_coreeig.py
- test_coulomb.py
- test_diagonalizer_backend.py
- test_dipole.py
- test_dipole_me.py
- test_dipole_new.py
- test_ds_beta.py
- test_fermilevel.py
- test_fermisplit.py
- test_ffbt.py
- test_fixdensity.py
- test_fixdensity_mgga.py
- test_fixmom.py
- test_fixocc.py
- test_force_as_stop.py
- test_fuzz.py
- test_gaunt.py
- test_gauss_func.py
- test_gauss_wave.py
- test_generate_gpwfiles.py
- test_ibz2bz.py
- test_ibzqpt.py
- test_inducedfield_lrtddft.py
- test_inducedfield_td.py
- test_initial_occs.py
- test_jellium.py
- test_kpt.py
- test_kpt_refine.py
- test_libelpa.py
- test_lvlmm.py
- test_mpicomm.py
- test_muffintinpot.py
- test_multipoleH2O.py
- test_multipoletest.py
- test_negative_eigerror.py
- test_new_calculator.py
- test_nosave_projections.py
- test_occupations.py
- test_orbmag.py
- test_overlap.py
- test_potential.py
- test_rattle.py
- test_reuse_wfs.py
- test_reuse_wfs_celldisp.py
- test_scf_criteria.py
- test_spectrum.py
- test_spherical_harmonics.py
- test_spinorbit_Kr.py
- test_stdout.py
- test_timelimit.py
- test_timing.py
- test_too_close.py
- test_unfold.py
- test_vdwradii.py
- test_warn_missing_mode.py
- test_watermodel.py
- utilities/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_adjust_cell.cpython-313.opt-1.pyc
- test_adjust_cell.cpython-313.pyc
- test_eed.cpython-313.opt-1.pyc
- test_eed.cpython-313.pyc
- test_elf.cpython-313.opt-1.pyc
- test_elf.cpython-313.pyc
- test_ewald.cpython-313.opt-1.pyc
- test_ewald.cpython-313.pyc
- test_ldos.cpython-313.opt-1.pyc
- test_ldos.cpython-313.pyc
- test_partitioning.cpython-313.opt-1.pyc
- test_partitioning.cpython-313.pyc
- test_simple_stm.cpython-313.opt-1.pyc
- test_simple_stm.cpython-313.pyc
- test_wannier_ethylene.cpython-313.opt-1.pyc
- test_wannier_ethylene.cpython-313.pyc
- test_adjust_cell.py
- test_eed.py
- test_elf.py
- test_ewald.py
- test_ldos.py
- test_partitioning.py
- test_simple_stm.py
- test_wannier_ethylene.py
- vdw/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_H_Hirshfeld.cpython-313.opt-1.pyc
- test_H_Hirshfeld.cpython-313.pyc
- test_ar2.cpython-313.opt-1.pyc
- test_ar2.cpython-313.pyc
- test_libvdwxc_functionals.cpython-313.opt-1.pyc
- test_libvdwxc_functionals.cpython-313.pyc
- test_libvdwxc_h2.cpython-313.opt-1.pyc
- test_libvdwxc_h2.cpython-313.pyc
- test_libvdwxc_mbeef.cpython-313.opt-1.pyc
- test_libvdwxc_mbeef.cpython-313.pyc
- test_libvdwxc_spin.cpython-313.opt-1.pyc
- test_libvdwxc_spin.cpython-313.pyc
- test_potential.cpython-313.opt-1.pyc
- test_potential.cpython-313.pyc
- test_quick.cpython-313.opt-1.pyc
- test_quick.cpython-313.pyc
- test_quick_spin.cpython-313.opt-1.pyc
- test_quick_spin.cpython-313.pyc
- test_ts09.cpython-313.opt-1.pyc
- test_ts09.cpython-313.pyc
- test_H_Hirshfeld.py
- test_ar2.py
- test_libvdwxc_functionals.py
- test_libvdwxc_h2.py
- test_libvdwxc_mbeef.py
- test_libvdwxc_spin.py
- test_potential.py
- test_quick.py
- test_quick_spin.py
- test_ts09.py
- xc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- test_XC2.cpython-313.opt-1.pyc
- test_XC2.cpython-313.pyc
- test_atomize.cpython-313.opt-1.pyc
- test_atomize.cpython-313.pyc
- test_beef.cpython-313.opt-1.pyc
- test_beef.cpython-313.pyc
- test_degeneracy.cpython-313.opt-1.pyc
- test_degeneracy.cpython-313.pyc
- test_gga_atom.cpython-313.opt-1.pyc
- test_gga_atom.cpython-313.pyc
- test_lb94.cpython-313.opt-1.pyc
- test_lb94.cpython-313.pyc
- test_lxc_fhc.cpython-313.opt-1.pyc
- test_lxc_fhc.cpython-313.pyc
- test_lxc_laplacian.cpython-313.opt-1.pyc
- test_lxc_laplacian.cpython-313.pyc
- test_lxc_xcatom.cpython-313.opt-1.pyc
- test_lxc_xcatom.cpython-313.pyc
- test_nonselfconsistent.cpython-313.opt-1.pyc
- test_nonselfconsistent.cpython-313.pyc
- test_nonselfconsistentLDA.cpython-313.opt-1.pyc
- test_nonselfconsistentLDA.cpython-313.pyc
- test_pbe_pw91.cpython-313.opt-1.pyc
- test_pbe_pw91.cpython-313.pyc
- test_pplda.cpython-313.opt-1.pyc
- test_pplda.cpython-313.pyc
- test_pygga.cpython-313.opt-1.pyc
- test_pygga.cpython-313.pyc
- test_qna_band.cpython-313.opt-1.pyc
- test_qna_band.cpython-313.pyc
- test_qna_force.cpython-313.opt-1.pyc
- test_qna_force.cpython-313.pyc
- test_qna_spinpol.cpython-313.opt-1.pyc
- test_qna_spinpol.cpython-313.pyc
- test_qna_stress.cpython-313.opt-1.pyc
- test_qna_stress.cpython-313.pyc
- test_revPBE.cpython-313.opt-1.pyc
- test_revPBE.cpython-313.pyc
- test_revPBE_Li.cpython-313.opt-1.pyc
- test_revPBE_Li.cpython-313.pyc
- test_tb09.cpython-313.opt-1.pyc
- test_tb09.cpython-313.pyc
- test_tpss.cpython-313.opt-1.pyc
- test_tpss.cpython-313.pyc
- test_xc.cpython-313.opt-1.pyc
- test_xc.cpython-313.pyc
- test_xcatom.cpython-313.opt-1.pyc
- test_xcatom.cpython-313.pyc
- test_XC2.py
- test_atomize.py
- test_beef.py
- test_degeneracy.py
- test_gga_atom.py
- test_lb94.py
- test_lxc_fhc.py
- test_lxc_laplacian.py
- test_lxc_xcatom.py
- test_nonselfconsistent.py
- test_nonselfconsistentLDA.py
- test_pbe_pw91.py
- test_pplda.py
- test_pygga.py
- test_qna_band.py
- test_qna_force.py
- test_qna_spinpol.py
- test_qna_stress.py
- test_revPBE.py
- test_revPBE_Li.py
- test_tb09.py
- test_tpss.py
- test_xc.py
- test_xcatom.py
- tetrahedron.py
- transformers.py
- typing.py
- unfold.py
- upf.py
- utilities/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- adjust_cell.cpython-313.opt-1.pyc
- adjust_cell.cpython-313.pyc
- bader.cpython-313.opt-1.pyc
- bader.cpython-313.pyc
- blas.cpython-313.opt-1.pyc
- blas.cpython-313.pyc
- cg.cpython-313.opt-1.pyc
- cg.cpython-313.pyc
- debug.cpython-313.opt-1.pyc
- debug.cpython-313.pyc
- dipole.cpython-313.opt-1.pyc
- dipole.cpython-313.pyc
- dos.cpython-313.opt-1.pyc
- dos.cpython-313.pyc
- ekin.cpython-313.opt-1.pyc
- ekin.cpython-313.pyc
- elpa.cpython-313.opt-1.pyc
- elpa.cpython-313.pyc
- ewald.cpython-313.opt-1.pyc
- ewald.cpython-313.pyc
- extend_grid.cpython-313.opt-1.pyc
- extend_grid.cpython-313.pyc
- extrapolate.cpython-313.opt-1.pyc
- extrapolate.cpython-313.pyc
- folder.cpython-313.opt-1.pyc
- folder.cpython-313.pyc
- gauss.cpython-313.opt-1.pyc
- gauss.cpython-313.pyc
- gl_quadrature.cpython-313.opt-1.pyc
- gl_quadrature.cpython-313.pyc
- gpts.cpython-313.opt-1.pyc
- gpts.cpython-313.pyc
- grid.cpython-313.opt-1.pyc
- grid.cpython-313.pyc
- grid_redistribute.cpython-313.opt-1.pyc
- grid_redistribute.cpython-313.pyc
- hardware.cpython-313.opt-1.pyc
- hardware.cpython-313.pyc
- hilbert.cpython-313.opt-1.pyc
- hilbert.cpython-313.pyc
- jth.cpython-313.opt-1.pyc
- jth.cpython-313.pyc
- kspot.cpython-313.opt-1.pyc
- kspot.cpython-313.pyc
- mblas.cpython-313.opt-1.pyc
- mblas.cpython-313.pyc
- memory.cpython-313.opt-1.pyc
- memory.cpython-313.pyc
- nbrun.cpython-313.opt-1.pyc
- nbrun.cpython-313.pyc
- newrelease.cpython-313.opt-1.pyc
- newrelease.cpython-313.pyc
- partition.cpython-313.opt-1.pyc
- partition.cpython-313.pyc
- progressbar.cpython-313.opt-1.pyc
- progressbar.cpython-313.pyc
- ps2ae.cpython-313.opt-1.pyc
- ps2ae.cpython-313.pyc
- pw.cpython-313.opt-1.pyc
- pw.cpython-313.pyc
- scalapack.cpython-313.opt-1.pyc
- scalapack.cpython-313.pyc
- sic.cpython-313.opt-1.pyc
- sic.cpython-313.pyc
- timelimit.cpython-313.opt-1.pyc
- timelimit.cpython-313.pyc
- timing.cpython-313.opt-1.pyc
- timing.cpython-313.pyc
- tools.cpython-313.opt-1.pyc
- tools.cpython-313.pyc
- urlcheck.cpython-313.opt-1.pyc
- urlcheck.cpython-313.pyc
- watermodel.cpython-313.opt-1.pyc
- watermodel.cpython-313.pyc
- adjust_cell.py
- bader.py
- blas.py
- cg.py
- debug.py
- dipole.py
- dos.py
- ekin.py
- elpa.py
- ewald.py
- extend_grid.py
- extrapolate.py
- folder.py
- gauss.py
- gl_quadrature.py
- gpts.py
- grid.py
- grid_redistribute.py
- hardware.py
- hilbert.py
- jth.py
- kspot.py
- mblas.py
- memory.py
- nbrun.py
- newrelease.py
- partition.py
- progressbar.py
- ps2ae.py
- pw.py
- scalapack.py
- sic.py
- timelimit.py
- timing.py
- tools.py
- urlcheck.py
- watermodel.py
- wannier/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- edmiston_ruedenberg.cpython-313.opt-1.pyc
- edmiston_ruedenberg.cpython-313.pyc
- functions.cpython-313.opt-1.pyc
- functions.cpython-313.pyc
- overlaps.cpython-313.opt-1.pyc
- overlaps.cpython-313.pyc
- w90.cpython-313.opt-1.pyc
- w90.cpython-313.pyc
- edmiston_ruedenberg.py
- functions.py
- overlaps.py
- w90.py
- wannier90.py
- wavefunctions/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- arrays.cpython-313.opt-1.pyc
- arrays.cpython-313.pyc
- base.cpython-313.opt-1.pyc
- base.cpython-313.pyc
- fd.cpython-313.opt-1.pyc
- fd.cpython-313.pyc
- fdpw.cpython-313.opt-1.pyc
- fdpw.cpython-313.pyc
- lcao.cpython-313.opt-1.pyc
- lcao.cpython-313.pyc
- mode.cpython-313.opt-1.pyc
- mode.cpython-313.pyc
- pw.cpython-313.opt-1.pyc
- pw.cpython-313.pyc
- arrays.py
- base.py
- fd.py
- fdpw.py
- lcao.py
- mode.py
- pw.py
- wfd_operators.py
- xas.py
- xc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- bee.cpython-313.opt-1.pyc
- bee.cpython-313.pyc
- functional.cpython-313.opt-1.pyc
- functional.cpython-313.pyc
- fxc.cpython-313.opt-1.pyc
- fxc.cpython-313.pyc
- fxc_kernels.cpython-313.opt-1.pyc
- fxc_kernels.cpython-313.pyc
- gga.cpython-313.opt-1.pyc
- gga.cpython-313.pyc
- hybrid.cpython-313.opt-1.pyc
- hybrid.cpython-313.pyc
- kernel.cpython-313.opt-1.pyc
- kernel.cpython-313.pyc
- lb94.cpython-313.opt-1.pyc
- lb94.cpython-313.pyc
- lda.cpython-313.opt-1.pyc
- lda.cpython-313.pyc
- libvdwxc.cpython-313.opt-1.pyc
- libvdwxc.cpython-313.pyc
- libxc.cpython-313.opt-1.pyc
- libxc.cpython-313.pyc
- mgga.cpython-313.opt-1.pyc
- mgga.cpython-313.pyc
- noncollinear.cpython-313.opt-1.pyc
- noncollinear.cpython-313.pyc
- parametrizedxc.cpython-313.opt-1.pyc
- parametrizedxc.cpython-313.pyc
- pawcorrection.cpython-313.opt-1.pyc
- pawcorrection.cpython-313.pyc
- qna.cpython-313.opt-1.pyc
- qna.cpython-313.pyc
- rpa.cpython-313.opt-1.pyc
- rpa.cpython-313.pyc
- sic.cpython-313.opt-1.pyc
- sic.cpython-313.pyc
- tb09.cpython-313.opt-1.pyc
- tb09.cpython-313.pyc
- tools.cpython-313.opt-1.pyc
- tools.cpython-313.pyc
- vdw.cpython-313.opt-1.pyc
- vdw.cpython-313.pyc
- bee.py
- functional.py
- fxc.py
- fxc_kernels.py
- gga.py
- gllb/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- c_gllbscr.cpython-313.opt-1.pyc
- c_gllbscr.cpython-313.pyc
- c_response.cpython-313.opt-1.pyc
- c_response.cpython-313.pyc
- c_xc.cpython-313.opt-1.pyc
- c_xc.cpython-313.pyc
- coefficients.cpython-313.opt-1.pyc
- coefficients.cpython-313.pyc
- contribution.cpython-313.opt-1.pyc
- contribution.cpython-313.pyc
- nonlocalfunctional.cpython-313.opt-1.pyc
- nonlocalfunctional.cpython-313.pyc
- nonlocalfunctionalfactory.cpython-313.opt-1.pyc
- nonlocalfunctionalfactory.cpython-313.pyc
- c_gllbscr.py
- c_response.py
- c_xc.py
- coefficients.py
- contribution.py
- nonlocalfunctional.py
- nonlocalfunctionalfactory.py
- hybrid.py
- kernel.py
- lb94.py
- lda.py
- libvdwxc.py
- libxc.py
- mgga.py
- noncollinear.py
- parametrizedxc.py
- pawcorrection.py
- qna.py
- ri/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- ribasis.cpython-313.opt-1.pyc
- ribasis.cpython-313.pyc
- spherical_hse_kernel.cpython-313.opt-1.pyc
- spherical_hse_kernel.cpython-313.pyc
- ribasis.py
- spherical_hse_kernel.py
- rpa.py
- sic.py
- tb09.py
- tools.py
- vdw.py
- zero_field_splitting.py
- mpich/
- site-packages/
- python3.13/
- lib/
Sources on Pagure