lammps-data-20241119-1.fc41 in Fedora 41
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Package Info
🠗 Changelog
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2024-11-30 | Richard Berger <richard dot berger at outlook dot com> - 20241119-1 | - Version bump to 20241119 - First release that makes use of Kokkos 4.4.01 - Dropped detect_mpi4py_v4.patch. got merged upstream |
| 2024-09-20 | Richard Berger <richard dot berger at outlook dot com> - 20240829-1 | - Version bump to 20240829 - Re-enable Kokkos - Prevent sourcing of modules.sh to stop due to error - Remove lammps-shell - Disable unstable tests - Add patch for mpi4py 4 support |
| 2024-07-29 | Miroslav Suchý <msuchy at redhat dot com> - 20230802.2-4 | - convert license to SPDX |
| 2024-07-18 | Fedora Release Engineering <releng at fedoraproject dot org> - 20230802.2-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-08 | Python Maint <python dash maint at redhat dot com> - 20230802.2-2 | - Rebuilt for Python 3.13 |
| 2024-02-03 | Richard Berger <richard dot berger at outlook dot com> - 20230802.2-1 | - Version bump to 20230802.2 |
| 2024-02-01 | Richard Berger <richard dot berger at outlook dot com> - 20230802.1-4 | - Remove non-existant build dependencies from 32bit builds |
| 2024-01-25 | Fedora Release Engineering <releng at fedoraproject dot org> - 20230802.1-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2024-01-21 | Fedora Release Engineering <releng at fedoraproject dot org> - 20230802.1-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2023-11-05 | Richard Berger <richard dot berger at outlook dot com> - 20230802.1-1 | - Version bump to 20230802.1 - Disable potentials download during CMake (DOWNLOAD_POTENTIALS=OFF) - Disable deprecated MPIIO package - Remove CMake patch - Add missing spglib to sources - Disable some more tests on non-x86 |
Provides
- config(lammps-data)
- lammps-data
Files
- etc/
- profile.d/
- lammps.csh
- lammps.sh
- profile.d/
- usr/
- share/
- lammps/
- bench/
- Cu_u3.eam
- POTENTIALS/
- CH.airebo
- CH.rebo
- CdTe.bop.table
- Cu_u3.eam
- Ni.adp
- Ni.meam
- README
- Si.sw
- Si.tersoff
- data.airebo
- data.comb
- data.eff
- data.eim
- data.fene
- data.gb
- data.granular
- data.protein
- data.reax
- data.rebo
- data.spce
- ffield.comb
- ffield.eim
- ffield.reax
- in.adp
- in.airebo
- in.bop
- in.comb
- in.dpd
- in.eam
- in.eff
- in.eim
- in.fene
- in.gb
- in.granular
- in.lj
- in.meam
- in.peri
- in.protein
- in.reaxc
- in.rebo
- in.spce
- in.sw
- in.tersoff
- library.meam
- log.9Oct20.adp.1
- log.9Oct20.adp.4
- log.9Oct20.airebo.1
- log.9Oct20.airebo.4
- log.9Oct20.bop.1
- log.9Oct20.bop.4
- log.9Oct20.comb.1
- log.9Oct20.comb.4
- log.9Oct20.dpd.1
- log.9Oct20.dpd.4
- log.9Oct20.eam.1
- log.9Oct20.eam.4
- log.9Oct20.eff.1
- log.9Oct20.eff.4
- log.9Oct20.eim.1
- log.9Oct20.eim.4
- log.9Oct20.fene.1
- log.9Oct20.fene.4
- log.9Oct20.gb.1
- log.9Oct20.gb.4
- log.9Oct20.granular.1
- log.9Oct20.granular.4
- log.9Oct20.lj.1
- log.9Oct20.lj.4
- log.9Oct20.meam.1
- log.9Oct20.meam.4
- log.9Oct20.peri.1
- log.9Oct20.peri.4
- log.9Oct20.protein.1
- log.9Oct20.protein.4
- log.9Oct20.reaxc.1
- log.9Oct20.reaxc.4
- log.9Oct20.rebo.1
- log.9Oct20.rebo.4
- log.9Oct20.spce.1
- log.9Oct20.spce.4
- log.9Oct20.sw.1
- log.9Oct20.sw.4
- log.9Oct20.tersoff.1
- log.9Oct20.tersoff.4
- README
- data.chain
- data.chute
- data.rhodo
- in.chain
- in.chain.scaled
- in.chute
- in.chute.scaled
- in.eam
- in.lj
- in.rhodo
- in.rhodo.scaled
- log.6Oct16.chain.fixed.icc.1
- log.6Oct16.chain.fixed.icc.4
- log.6Oct16.chain.scaled.icc.4
- log.6Oct16.chute.fixed.icc.1
- log.6Oct16.chute.fixed.icc.4
- log.6Oct16.chute.scaled.icc.4
- log.6Oct16.eam.fixed.icc.1
- log.6Oct16.eam.fixed.icc.4
- log.6Oct16.eam.scaled.icc.4
- log.6Oct16.lj.fixed.icc.1
- log.6Oct16.lj.fixed.icc.4
- log.6Oct16.lj.scaled.icc.4
- log.6Oct16.rhodo.fixed.icc.1
- log.6Oct16.rhodo.fixed.icc.4
- log.6Oct16.rhodo.scaled.icc.4
- frc_files/
- README
- cff91.frc
- clayff.frc
- compass_published.frc
- cvff.frc
- cvff_aug.frc
- oplsaa.frc
- pcff.frc
- pcff.rlb
- pcff_templates.dat
- potentials/
- Ag_u3.eam
- AlCu.adp
- AlCu.bop.table
- AlCu.eam.alloy
- AlCuH.bop.table
- AlFe_mm.eam.fs
- AlO.eam.alloy
- AlO.streitz
- AlSiMgCuFe.meam
- Al_Batra_2019.agni
- Al_jnp.eam
- Al_jpc.agni
- Al_mm.eam.fs
- Al_prb.agni
- Al_zhou.eam.alloy
- Au_u3.eam
- BN.extep
- BNC.tersoff
- BNCH-old.ILP
- BNCH.ILP
- BNC_MBD_bulk.ILP
- BNC_TS_bulk.ILP
- Bi.meam
- C.drip
- C.lcbop
- CBNOH.aip.water.2dm
- CC.KC
- CC.KC-full
- CC.Lebedeva
- CCu_v2.bop.table
- CH.KC
- CH.airebo
- CH.airebo-m
- CH.rebo
- CHAu.ILP
- CH_taper.KC
- COH.DMC.aip.water.2dm
- C_SNAP_2021.10.15.quadratic.snapcoeff
- C_SNAP_2021.10.15.quadratic.snapparam
- CdTe.bop.table
- CdTe.sw
- CdTeSe.bop.table
- CdTeZn.bop.table
- CdTeZnSeHgS0.sw
- CdZnTe_v1.bop.table
- CdZnTe_v2.bop.table
- CoAl.eam.alloy
- Cu-PBE-core-rep.ace
- Cu.meam
- Cu.nn.mliap.model
- Cu.snap.mliap.descriptor
- CuH.bop.table
- CuNi.eam.alloy
- CuTa.eam.alloy
- CuTa_eam.poly
- CuZr_mm.eam.fs
- Cu_Huan_2019_fp1.agni
- Cu_Huan_2019_fp2.agni
- Cu_Zuo_JPCA2020.quadratic.snap
- Cu_Zuo_JPCA2020.quadratic.snapcoeff
- Cu_Zuo_JPCA2020.quadratic.snapparam
- Cu_Zuo_JPCA2020.snap
- Cu_Zuo_JPCA2020.snapcoeff
- Cu_Zuo_JPCA2020.snapparam
- Cu_mishin1.eam.alloy
- Cu_smf7.eam
- Cu_u3.eam
- Cu_u6.eam
- Cu_zhou.eam.alloy
- FeCH_BOP_I.poly
- FeCH_BOP_II.poly
- FeCr.cdeam
- FeP_mm.eam.fs
- Fe_mm.eam.fs
- GaAs.bop.table
- GaN.sw
- GaN.tersoff
- GaN_sw.poly
- GaN_tersoff.poly
- Ge.tersoff
- Ge_Zuo_JPCA2020.quadratic.snap
- Ge_Zuo_JPCA2020.quadratic.snapcoeff
- Ge_Zuo_JPCA2020.quadratic.snapparam
- Ge_Zuo_JPCA2020.snap
- Ge_Zuo_JPCA2020.snapcoeff
- Ge_Zuo_JPCA2020.snapparam
- HGa.msmeam
- He_He_JW2013.table
- InP.vashishta
- InP_JCPA2020.mliap
- InP_JCPA2020.mliap.descriptor
- InP_JCPA2020.mliap.model
- InP_JCPA2020.snap
- InP_JCPA2020.snapcoeff
- InP_JCPA2020.snapparam
- Li_Zuo_JPCA2020.quadratic.snap
- Li_Zuo_JPCA2020.quadratic.snapcoeff
- Li_Zuo_JPCA2020.quadratic.snapparam
- Li_Zuo_JPCA2020.snap
- Li_Zuo_JPCA2020.snapcoeff
- Li_Zuo_JPCA2020.snapparam
- MOH.nb3b.harmonic
- MgAl.rann
- Mg_mm.eam.fs
- Mo5.2.mgpt.README
- Mo5.2.mgpt.parmin
- Mo5.2.mgpt.potin
- MoCoNiVFeAlCr_2nn.meam
- MoS.rebomos
- MoS2.ILP
- Mo_Chen_PRM2017.snap
- Mo_Chen_PRM2017.snapcoeff
- Mo_Chen_PRM2017.snapparam
- Mo_Zuo_JPCA2020.quadratic.snap
- Mo_Zuo_JPCA2020.quadratic.snapcoeff
- Mo_Zuo_JPCA2020.quadratic.snapparam
- Mo_Zuo_JPCA2020.snap
- Mo_Zuo_JPCA2020.snapcoeff
- Mo_Zuo_JPCA2020.snapparam
- Nb.uf3
- Ni.adp
- Ni.meam
- NiAlH_jea.eam.alloy
- NiAlH_jea.eam.fs
- NiO.ctip
- NiO.eam.fs
- Ni_Mo.mliap.descriptor
- Ni_Mo.mliap.model
- Ni_Zuo_JPCA2020.quadratic.snap
- Ni_Zuo_JPCA2020.quadratic.snapcoeff
- Ni_Zuo_JPCA2020.quadratic.snapparam
- Ni_Zuo_JPCA2020.snap
- Ni_Zuo_JPCA2020.snapcoeff
- Ni_Zuo_JPCA2020.snapparam
- Ni_smf7.eam
- Ni_u3.eam
- PSiO.nb3b.screened
- PdHHe.eam.he
- Pd_u3.eam
- Pt_Chapman_2020.agni
- Pt_u3.eam
- README
- README.reax
- Si.b.meam.sw.spline
- Si.edip
- Si.nn.mliap.descriptor
- Si.nn.mliap.model
- Si.sw
- Si.tersoff
- Si.tersoff.mod
- Si.tersoff.modc
- SiC.edip
- SiC.gw
- SiC.gw.zbl
- SiC.meam
- SiC.tersoff
- SiC.tersoff.zbl
- SiC.vashishta
- SiCGe.tersoff
- SiC_1989.tersoff
- SiC_1990.tersoff
- SiC_1994.tersoff
- SiC_Erhart-Albe.tersoff
- SiGeH.sw.quip
- SiO.1990.vashishta
- SiO.1994.vashishta
- SiO.1997.vashishta
- SiO.tersoff
- Si_1.meam.spline
- Si_2.meam.spline
- Si_Zuo_JPCA2020.quadratic.snap
- Si_Zuo_JPCA2020.quadratic.snapcoeff
- Si_Zuo_JPCA2020.quadratic.snapparam
- Si_Zuo_JPCA2020.snap
- Si_Zuo_JPCA2020.snapcoeff
- Si_Zuo_JPCA2020.snapparam
- TMD.ILP
- Ta06A.mliap
- Ta06A.mliap.descriptor
- Ta06A.mliap.model
- Ta06A.nn.mliap
- Ta06A.nn.mliap.model
- Ta06A.pytorch.mliap
- Ta06A.snap
- Ta06A.snapcoeff
- Ta06A.snapparam
- Ta4.mgpt.README
- Ta4.mgpt.parmin
- Ta4.mgpt.potin
- Ta6.8x.mgpt.README
- Ta6.8x.mgpt.parmin
- Ta6.8x.mgpt.potin
- Ta_coeff.pod
- Ta_param.pod
- Ti.meam.spline
- Ti.meam.sw.spline
- Ti.rann
- TiO.meam.spline
- TiZr_2.rann
- TlBr_msw.poly
- V6.1.mgpt.README
- V6.1.mgpt.parmin
- V6.1.mgpt.potin
- VFe_mm.eam.fs
- W.quadratic.mliap
- W.quadratic.mliap.descriptor
- W.quadratic.mliap.model
- WBe_Wood_PRB2019.mliap
- WBe_Wood_PRB2019.mliap.descriptor
- WBe_Wood_PRB2019.mliap.model
- WBe_Wood_PRB2019.snap
- WBe_Wood_PRB2019.snapcoeff
- WBe_Wood_PRB2019.snapparam
- WL.meam
- W_2940_2017_2.snap
- W_2940_2017_2.snapcoeff
- W_2940_2017_2.snapparam
- W_2940_2017_2_He_JW2013.snap
- W_He_JW2013.table
- W_zhou.eam.alloy
- Zn.rann
- Zr.rann
- Zr_mm.eam.fs
- acks2_ff.water
- charmm22.cmap
- charmm36.cmap
- ci-reaxFF_ZBL.dat
- ffield.ci-reax.CH
- ffield.comb
- ffield.comb3
- ffield.eim
- ffield.reax.AB
- ffield.reax.AuO
- ffield.reax.FC
- ffield.reax.Fe_O_C_H
- ffield.reax.V_O_C_H
- ffield.reax.ZnOH
- ffield.reax.budzien
- ffield.reax.cho
- ffield.reax.lg
- ffield.reax.mattsson
- ffield.reax.rdx
- ffield.smtbq.Al
- ffield.smtbq.Al2O3
- ffield.smtbq.TiO2
- lib.comb3
- library.meam
- library.msmeam
- library_2nn.meam
- oxdna2_lj.cgdna
- oxdna2_real.cgdna
- oxdna_lj.cgdna
- oxdna_real.cgdna
- oxrna2_lj.cgdna
- oxrna2_real.cgdna
- tmd.sw.mod
- bench/
- licenses/
- lammps-data/
- LICENSE
- lammps-data/
- lammps/
- share/
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