IQmol-samples-3.2.0-1.fc44 in Fedora Rawhide
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Package Info
🠗 Changelog
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2025-08-05 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 3.2.0-1 | - Update to 3.2.0. |
| 2025-07-23 | Fedora Release Engineering <releng at fedoraproject dot org> - 3.1.5-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild |
| 2025-01-16 | Fedora Release Engineering <releng at fedoraproject dot org> - 3.1.5-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild |
| 2024-10-25 | Orion Poplawski <orion at nwra dot com> - 3.1.5-2 | - Rebuild for yaml-cpp 0.8 |
| 2024-10-12 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 3.1.5-1 | - Update to 3.1.5. |
| 2024-09-02 | Miroslav Suchý <msuchy at redhat dot com> - 3.1.4-3 | - convert license to SPDX |
| 2024-07-26 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 3.1.4-2 | - Undo changes to desktop file silently done upstream. |
| 2024-07-26 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 3.1.4-1 | - Update to 3.1.4. |
| 2024-07-17 | Fedora Release Engineering <releng at fedoraproject dot org> - 3.1.3-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-05-08 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 3.1.3-1 | - Update to 3.1.3. |
Provides
- IQmol-samples
Files
- usr/
- share/
- doc/
- IQmol-samples/
- 3nir.pdb
- 4hhb.pdb
- Acetaldehyde-Freq.out
- Dyson.Dyson_(left)_0.0.cube
- Dyson.fchk
- Dyson.out
- ExcitedStates.out
- For_g.txt.fchk
- L-cysteine-Opt.out
- LocalizedOrbitals.fchk
- Porphyrin-Orb.FChk
- Pyran-RingClosing.out
- Water-RPA-NtoNbo.FChk
- acrolein/
- abs_spectra.dat
- acrolein.inp
- acrolein.out
- acrolein.out.files/
- Spec_fc_0.txt
- Spec_fc_1.txt
- Spec_fc_10.txt
- Spec_fc_11.txt
- Spec_fc_12.txt
- Spec_fc_13.txt
- Spec_fc_14.txt
- Spec_fc_15.txt
- Spec_fc_16.txt
- Spec_fc_17.txt
- Spec_fc_18.txt
- Spec_fc_2.txt
- Spec_fc_3.txt
- Spec_fc_4.txt
- Spec_fc_5.txt
- Spec_fc_6.txt
- Spec_fc_7.txt
- Spec_fc_8.txt
- Spec_fc_9.txt
- Spec_ht_0.txt
- Spec_ht_1.txt
- Spec_ht_10.txt
- Spec_ht_11.txt
- Spec_ht_12.txt
- Spec_ht_13.txt
- Spec_ht_14.txt
- Spec_ht_15.txt
- Spec_ht_16.txt
- Spec_ht_17.txt
- Spec_ht_18.txt
- Spec_ht_2.txt
- Spec_ht_3.txt
- Spec_ht_4.txt
- Spec_ht_5.txt
- Spec_ht_6.txt
- Spec_ht_7.txt
- Spec_ht_8.txt
- Spec_ht_9.txt
- abs_spectra.dat
- cheetah.log
- vibronic_TimeSpectrum
- vibronic_basic.in
- vibronic_coord.e
- vibronic_coord.g
- vibronic_eigenmode.e
- vibronic_eigenmode.g
- vibronic_electronic.e
- vibronic_htcar
- vibronic_spectra.log
- vibronic_transition_dipole.e
- esp/
- esp.1.cube
- esp.inp
- esp.inp.fchk
- esp.out
- ethanol.inchi
- fragments.inp
- fsm/
- fsm.FChk
- fsm.inp
- fsm.out
- methane.inp.h5
- ruth_g.txt.fchk
- water.inp.h5
- IQmol-samples/
- licenses/
- IQmol-samples/
- LICENSE
- IQmol-samples/
- doc/
- share/
Sources on Pagure