| Index | index by Group | index by Distribution | index by Vendor | index by creation date | index by Name | Mirrors | Help | Search |
| Name: python3-qcengine | Distribution: Fedora Project |
| Version: 0.30.0 | Vendor: Fedora Project |
| Release: 4.fc42 | Build date: Sat Sep 7 11:45:04 2024 |
| Group: Unspecified | Build host: buildvm-a64-07.iad2.fedoraproject.org |
| Size: 3438498 | Source RPM: python-qcengine-0.30.0-4.fc42.src.rpm |
| Packager: Fedora Project | |
| Url: https://github.com/MolSSI/QCEngine | |
| Summary: A compute wrapper for Quantum Chemistry | |
Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry.
BSD-3-Clause
* Sat Sep 07 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.30.0-4 - Enable psi4 and mrchem tests in the build * Sat Sep 07 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.30.0-3 - Fix psi4 backend (BZ#2309462) * Fri Jul 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 0.30.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Thu Jul 04 2024 Packit <hello@packit.dev> - 0.30.0-1 - Update to 0.30.0 upstream release - Resolves: rhbz#2256371 * Sat Jun 29 2024 Python Maint <python-maint@redhat.com> - 0.29.0-5 - Rebuilt for Python 3.13 * Thu Jun 27 2024 topazus <topazus@outlook.com> - 0.29.0-4 - rebuild for python 3.13 * Fri Jan 26 2024 Fedora Release Engineering <releng@fedoraproject.org> - 0.29.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 0.29.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jan 01 2024 Packit <hello@packit.dev> - 0.29.0-1 - [packit] 0.29.0 upstream release * Mon Jan 01 2024 topazus <topazus@outlook.com> - 0.28.1-2 - fix packit file * Tue Oct 24 2023 topazus <topazus@outlook.com> - 0.28.1-1 - update to 0.28.1 * Fri Aug 11 2023 topazus <topazus@outlook.com> - 0.27.0-1 - bump to 0.27.0 * Fri Jul 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 0.26.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Fri Apr 14 2023 topazus <topazus@outlook.com> - 0.26.0-1 - Initial import (rhbz#2186489)
/usr/bin/qcengine /usr/lib/python3.13/site-packages/qcengine /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/INSTALLER /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/LICENSE /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/METADATA /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/WHEEL /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/entry_points.txt /usr/lib/python3.13/site-packages/qcengine-0.30.0.dist-info/top_level.txt /usr/lib/python3.13/site-packages/qcengine/__init__.py /usr/lib/python3.13/site-packages/qcengine/__main__.py /usr/lib/python3.13/site-packages/qcengine/__pycache__ /usr/lib/python3.13/site-packages/qcengine/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/__main__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/__main__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/_version.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/_version.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/cli.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/cli.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/compute.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/compute.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/config.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/config.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/exceptions.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/exceptions.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/extras.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/extras.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/mdi_server.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/mdi_server.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/stock_mols.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/stock_mols.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/testing.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/testing.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/units.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/units.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/util.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/__pycache__/util.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/_version.py /usr/lib/python3.13/site-packages/qcengine/cli.py /usr/lib/python3.13/site-packages/qcengine/compute.py /usr/lib/python3.13/site-packages/qcengine/config.py /usr/lib/python3.13/site-packages/qcengine/exceptions.py /usr/lib/python3.13/site-packages/qcengine/extras.py /usr/lib/python3.13/site-packages/qcengine/mdi_server.py /usr/lib/python3.13/site-packages/qcengine/procedures /usr/lib/python3.13/site-packages/qcengine/procedures/__init__.py /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__ /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/base.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/base.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/berny.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/berny.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/geometric.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/geometric.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/model.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/model.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/optking.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/optking.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/torsiondrive.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/__pycache__/torsiondrive.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/base.py /usr/lib/python3.13/site-packages/qcengine/procedures/berny.py /usr/lib/python3.13/site-packages/qcengine/procedures/geometric.py /usr/lib/python3.13/site-packages/qcengine/procedures/model.py /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__init__.py /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__pycache__ /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__pycache__/harvester.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/__pycache__/harvester.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/procedures/nwchem_opt/harvester.py /usr/lib/python3.13/site-packages/qcengine/procedures/optking.py /usr/lib/python3.13/site-packages/qcengine/procedures/torsiondrive.py /usr/lib/python3.13/site-packages/qcengine/programs /usr/lib/python3.13/site-packages/qcengine/programs/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/adcc.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/adcc.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/aimnet2.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/aimnet2.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/base.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/base.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/dftd3.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/dftd3.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/dftd_ng.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/dftd_ng.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/empirical_dispersion_resources.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/empirical_dispersion_resources.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/gcp.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/gcp.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mace.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mace.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/model.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/model.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/molpro.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/molpro.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mopac.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mopac.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mp2d.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mp2d.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mrchem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/mrchem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/openmm.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/openmm.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/psi4.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/psi4.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qchem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qchem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qcore.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qcore.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qcvar_identities_resources.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/qcvar_identities_resources.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/rdkit.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/rdkit.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem_frontend.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem_frontend.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem_pbs.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/terachem_pbs.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/torchani.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/torchani.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/xtb.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/__pycache__/xtb.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/adcc.py /usr/lib/python3.13/site-packages/qcengine/programs/aimnet2.py /usr/lib/python3.13/site-packages/qcengine/programs/base.py /usr/lib/python3.13/site-packages/qcengine/programs/cfour /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/germinate.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/germinate.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/harvester.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/harvester.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/keywords.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/keywords.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/runner.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/__pycache__/runner.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/cfour/germinate.py /usr/lib/python3.13/site-packages/qcengine/programs/cfour/harvester.py /usr/lib/python3.13/site-packages/qcengine/programs/cfour/keywords.py /usr/lib/python3.13/site-packages/qcengine/programs/cfour/runner.py /usr/lib/python3.13/site-packages/qcengine/programs/dftd3.py /usr/lib/python3.13/site-packages/qcengine/programs/dftd_ng.py /usr/lib/python3.13/site-packages/qcengine/programs/empirical_dispersion_resources.py /usr/lib/python3.13/site-packages/qcengine/programs/gamess /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/germinate.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/germinate.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/harvester.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/harvester.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/keywords.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/keywords.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/runner.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/__pycache__/runner.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/gamess/germinate.py /usr/lib/python3.13/site-packages/qcengine/programs/gamess/harvester.py /usr/lib/python3.13/site-packages/qcengine/programs/gamess/keywords.py /usr/lib/python3.13/site-packages/qcengine/programs/gamess/runner.py /usr/lib/python3.13/site-packages/qcengine/programs/gcp.py /usr/lib/python3.13/site-packages/qcengine/programs/mace.py /usr/lib/python3.13/site-packages/qcengine/programs/model.py /usr/lib/python3.13/site-packages/qcengine/programs/molpro.py /usr/lib/python3.13/site-packages/qcengine/programs/mopac.py /usr/lib/python3.13/site-packages/qcengine/programs/mp2d.py /usr/lib/python3.13/site-packages/qcengine/programs/mrchem.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/errors.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/errors.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/germinate.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/germinate.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/harvester.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/harvester.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/keywords.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/keywords.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/runner.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/__pycache__/runner.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/errors.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/germinate.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/harvester.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/keywords.py /usr/lib/python3.13/site-packages/qcengine/programs/nwchem/runner.py /usr/lib/python3.13/site-packages/qcengine/programs/openmm.py /usr/lib/python3.13/site-packages/qcengine/programs/psi4.py /usr/lib/python3.13/site-packages/qcengine/programs/qchem.py /usr/lib/python3.13/site-packages/qcengine/programs/qcore.py /usr/lib/python3.13/site-packages/qcengine/programs/qcvar_identities_resources.py /usr/lib/python3.13/site-packages/qcengine/programs/rdkit.py /usr/lib/python3.13/site-packages/qcengine/programs/terachem.py /usr/lib/python3.13/site-packages/qcengine/programs/terachem_frontend.py /usr/lib/python3.13/site-packages/qcengine/programs/terachem_pbs.py /usr/lib/python3.13/site-packages/qcengine/programs/tests /usr/lib/python3.13/site-packages/qcengine/programs/tests/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_contracts.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_contracts.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_ref.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_ref.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_runner.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/standard_suite_runner.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_adcc.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_adcc.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_alignment.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_alignment.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_canonical_config.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_canonical_config.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_canonical_fields.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_canonical_fields.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_dftd3_mp2d.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_dftd3_mp2d.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_dftd4.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_dftd4.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_ghost.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_ghost.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_molpro.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_molpro.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_mrchem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_mrchem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_nwchem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_nwchem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_programs.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_programs.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_qchem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_qchem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_qcore.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_qcore.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_sdftd3.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_sdftd3.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_ccsd(t).cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_ccsd(t).cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_hf.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_hf.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_terachem.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_terachem.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_terachem_pbs.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_terachem_pbs.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_turbomole.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_turbomole.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_xtb.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/__pycache__/test_xtb.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/tests/standard_suite_contracts.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/standard_suite_ref.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/standard_suite_runner.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_adcc.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_alignment.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_canonical_config.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_canonical_fields.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_dftd3_mp2d.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_dftd4.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_ghost.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_molpro.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_mrchem.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_nwchem.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_programs.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_qchem.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_qcore.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_sdftd3.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_standard_suite.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_standard_suite_ccsd(t).py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_standard_suite_hf.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_terachem.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_terachem_pbs.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_turbomole.py /usr/lib/python3.13/site-packages/qcengine/programs/tests/test_xtb.py /usr/lib/python3.13/site-packages/qcengine/programs/torchani.py /usr/lib/python3.13/site-packages/qcengine/programs/turbomole /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/define.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/define.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/harvester.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/harvester.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/methods.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/methods.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/runner.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/__pycache__/runner.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/define.py /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/harvester.py /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/methods.py /usr/lib/python3.13/site-packages/qcengine/programs/turbomole/runner.py /usr/lib/python3.13/site-packages/qcengine/programs/util /usr/lib/python3.13/site-packages/qcengine/programs/util/__init__.py /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__ /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/ao_reordering.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/ao_reordering.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/hessparse.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/hessparse.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/pdict.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/__pycache__/pdict.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/programs/util/ao_reordering.py /usr/lib/python3.13/site-packages/qcengine/programs/util/hessparse.py /usr/lib/python3.13/site-packages/qcengine/programs/util/pdict.py /usr/lib/python3.13/site-packages/qcengine/programs/xtb.py /usr/lib/python3.13/site-packages/qcengine/stock_mols.py /usr/lib/python3.13/site-packages/qcengine/testing.py /usr/lib/python3.13/site-packages/qcengine/tests /usr/lib/python3.13/site-packages/qcengine/tests/__init__.py /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__ /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/__init__.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/__init__.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_cli.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_cli.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_config.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_config.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_harness_canonical.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_harness_canonical.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_mdi.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_mdi.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_procedures.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_procedures.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_program_utils.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_program_utils.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_utils.cpython-313.opt-1.pyc /usr/lib/python3.13/site-packages/qcengine/tests/__pycache__/test_utils.cpython-313.pyc /usr/lib/python3.13/site-packages/qcengine/tests/test_cli.py /usr/lib/python3.13/site-packages/qcengine/tests/test_config.py /usr/lib/python3.13/site-packages/qcengine/tests/test_harness_canonical.py /usr/lib/python3.13/site-packages/qcengine/tests/test_mdi.py /usr/lib/python3.13/site-packages/qcengine/tests/test_procedures.py /usr/lib/python3.13/site-packages/qcengine/tests/test_program_utils.py /usr/lib/python3.13/site-packages/qcengine/tests/test_utils.py /usr/lib/python3.13/site-packages/qcengine/units.py /usr/lib/python3.13/site-packages/qcengine/util.py /usr/share/doc/python3-qcengine /usr/share/doc/python3-qcengine/README.md /usr/share/licenses/python3-qcengine /usr/share/licenses/python3-qcengine/LICENSE
Generated by rpm2html 1.8.1
Fabrice Bellet, Fri Nov 1 06:16:31 2024