Bestandenoverzicht voor pakket python3-qcengine in sid voor het platform all
/usr/bin/qcengine /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/PKG-INFO /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/dependency_links.txt /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/entry_points.txt /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/not-zip-safe /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/requires.txt /usr/lib/python3/dist-packages/qcengine-0.30.0.egg-info/top_level.txt /usr/lib/python3/dist-packages/qcengine/__init__.py /usr/lib/python3/dist-packages/qcengine/__main__.py /usr/lib/python3/dist-packages/qcengine/_version.py /usr/lib/python3/dist-packages/qcengine/cli.py /usr/lib/python3/dist-packages/qcengine/compute.py /usr/lib/python3/dist-packages/qcengine/config.py /usr/lib/python3/dist-packages/qcengine/exceptions.py /usr/lib/python3/dist-packages/qcengine/extras.py /usr/lib/python3/dist-packages/qcengine/mdi_server.py /usr/lib/python3/dist-packages/qcengine/procedures/__init__.py /usr/lib/python3/dist-packages/qcengine/procedures/base.py /usr/lib/python3/dist-packages/qcengine/procedures/berny.py /usr/lib/python3/dist-packages/qcengine/procedures/geometric.py /usr/lib/python3/dist-packages/qcengine/procedures/model.py /usr/lib/python3/dist-packages/qcengine/procedures/nwchem_opt/__init__.py /usr/lib/python3/dist-packages/qcengine/procedures/nwchem_opt/harvester.py /usr/lib/python3/dist-packages/qcengine/procedures/optking.py /usr/lib/python3/dist-packages/qcengine/procedures/torsiondrive.py /usr/lib/python3/dist-packages/qcengine/programs/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/adcc.py /usr/lib/python3/dist-packages/qcengine/programs/aimnet2.py /usr/lib/python3/dist-packages/qcengine/programs/base.py /usr/lib/python3/dist-packages/qcengine/programs/cfour/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/cfour/germinate.py /usr/lib/python3/dist-packages/qcengine/programs/cfour/harvester.py /usr/lib/python3/dist-packages/qcengine/programs/cfour/keywords.py /usr/lib/python3/dist-packages/qcengine/programs/cfour/runner.py /usr/lib/python3/dist-packages/qcengine/programs/dftd3.py /usr/lib/python3/dist-packages/qcengine/programs/dftd_ng.py /usr/lib/python3/dist-packages/qcengine/programs/empirical_dispersion_resources.py /usr/lib/python3/dist-packages/qcengine/programs/gamess/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/gamess/germinate.py /usr/lib/python3/dist-packages/qcengine/programs/gamess/harvester.py /usr/lib/python3/dist-packages/qcengine/programs/gamess/keywords.py /usr/lib/python3/dist-packages/qcengine/programs/gamess/runner.py /usr/lib/python3/dist-packages/qcengine/programs/gcp.py /usr/lib/python3/dist-packages/qcengine/programs/mace.py /usr/lib/python3/dist-packages/qcengine/programs/model.py /usr/lib/python3/dist-packages/qcengine/programs/molpro.py /usr/lib/python3/dist-packages/qcengine/programs/mopac.py /usr/lib/python3/dist-packages/qcengine/programs/mp2d.py /usr/lib/python3/dist-packages/qcengine/programs/mrchem.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/errors.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/germinate.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/harvester.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/keywords.py /usr/lib/python3/dist-packages/qcengine/programs/nwchem/runner.py /usr/lib/python3/dist-packages/qcengine/programs/openmm.py /usr/lib/python3/dist-packages/qcengine/programs/psi4.py /usr/lib/python3/dist-packages/qcengine/programs/qchem.py /usr/lib/python3/dist-packages/qcengine/programs/qcore.py /usr/lib/python3/dist-packages/qcengine/programs/qcvar_identities_resources.py /usr/lib/python3/dist-packages/qcengine/programs/rdkit.py /usr/lib/python3/dist-packages/qcengine/programs/terachem.py /usr/lib/python3/dist-packages/qcengine/programs/terachem_frontend.py /usr/lib/python3/dist-packages/qcengine/programs/terachem_pbs.py /usr/lib/python3/dist-packages/qcengine/programs/tests/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/tests/standard_suite_contracts.py /usr/lib/python3/dist-packages/qcengine/programs/tests/standard_suite_ref.py /usr/lib/python3/dist-packages/qcengine/programs/tests/standard_suite_runner.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_adcc.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_alignment.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_canonical_config.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_canonical_fields.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_dftd3_mp2d.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_dftd4.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_ghost.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_molpro.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_mrchem.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_nwchem.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_programs.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_qchem.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_qcore.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_sdftd3.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_standard_suite.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_standard_suite_ccsd(t).py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_standard_suite_hf.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_terachem.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_terachem_pbs.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_turbomole.py /usr/lib/python3/dist-packages/qcengine/programs/tests/test_xtb.py /usr/lib/python3/dist-packages/qcengine/programs/torchani.py /usr/lib/python3/dist-packages/qcengine/programs/turbomole/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/turbomole/define.py /usr/lib/python3/dist-packages/qcengine/programs/turbomole/harvester.py /usr/lib/python3/dist-packages/qcengine/programs/turbomole/methods.py /usr/lib/python3/dist-packages/qcengine/programs/turbomole/runner.py /usr/lib/python3/dist-packages/qcengine/programs/util/__init__.py /usr/lib/python3/dist-packages/qcengine/programs/util/ao_reordering.py /usr/lib/python3/dist-packages/qcengine/programs/util/hessparse.py /usr/lib/python3/dist-packages/qcengine/programs/util/pdict.py /usr/lib/python3/dist-packages/qcengine/programs/xtb.py /usr/lib/python3/dist-packages/qcengine/stock_mols.py /usr/lib/python3/dist-packages/qcengine/testing.py /usr/lib/python3/dist-packages/qcengine/tests/__init__.py /usr/lib/python3/dist-packages/qcengine/tests/test_cli.py /usr/lib/python3/dist-packages/qcengine/tests/test_config.py /usr/lib/python3/dist-packages/qcengine/tests/test_harness_canonical.py /usr/lib/python3/dist-packages/qcengine/tests/test_mdi.py /usr/lib/python3/dist-packages/qcengine/tests/test_procedures.py /usr/lib/python3/dist-packages/qcengine/tests/test_program_utils.py /usr/lib/python3/dist-packages/qcengine/tests/test_utils.py /usr/lib/python3/dist-packages/qcengine/units.py /usr/lib/python3/dist-packages/qcengine/util.py /usr/share/doc/python3-qcengine/changelog.Debian.gz /usr/share/doc/python3-qcengine/changelog.gz /usr/share/doc/python3-qcengine/copyright