python3-qcelemental (0.29.0-2)
Details
Core information at a glance
- Distribution
- debian
- Origin
- debian-sid
- Repository
- https://deb.debian.org/debian
- Codename
- sid
- Component
- main
- Source
- qcelemental
- Architecture
- s390x
- Section
- python
- Priority
- optional
- Maintainer
- Debichem Team <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 2 kB
- Size expected
- 233.3 kB
- Size actual
- 233.3 kB
- Size match
Dependencies
Required package dependencies
Suggested packages
Recommended additional packages
- None
Description
Periodic table, physical constants, and molecule parsing for quantum chemistry
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | ec90e4de…b6268639 | |
| SHA-1 | 76d6a1ce…25756452 | |
| SHA-256 | 45538b44…9d40a730 | |
| SHA-512 | 4b995e38…9d06e79b |
Contents
Files and directories included
. usr usr/lib usr/lib/python3 usr/lib/python3/dist-packages usr/lib/python3/dist-packages/qcelemental usr/lib/python3/dist-packages/qcelemental/__init__.py usr/lib/python3/dist-packages/qcelemental/checkup_data usr/lib/python3/dist-packages/qcelemental/checkup_data/README.md usr/lib/python3/dist-packages/qcelemental/checkup_data/__init__.py usr/lib/python3/dist-packages/qcelemental/checkup_data/cfour_primary_masses.py usr/lib/python3/dist-packages/qcelemental/checkup_data/periodictable.py usr/lib/python3/dist-packages/qcelemental/checkup_data/physconst.py usr/lib/python3/dist-packages/qcelemental/conftest.py usr/lib/python3/dist-packages/qcelemental/covalent_radii.py usr/lib/python3/dist-packages/qcelemental/data usr/lib/python3/dist-packages/qcelemental/data/README.md usr/lib/python3/dist-packages/qcelemental/data/__init__.py usr/lib/python3/dist-packages/qcelemental/data/alvarez_2008_covalent_radii.py usr/lib/python3/dist-packages/qcelemental/data/mantina_2009_vanderwaals_radii.py usr/lib/python3/dist-packages/qcelemental/data/nist_2011_atomic_weights.py usr/lib/python3/dist-packages/qcelemental/data/nist_2014_codata.py usr/lib/python3/dist-packages/qcelemental/data/nist_2018_codata.py usr/lib/python3/dist-packages/qcelemental/datum.py usr/lib/python3/dist-packages/qcelemental/exceptions.py usr/lib/python3/dist-packages/qcelemental/info usr/lib/python3/dist-packages/qcelemental/info/__init__.py usr/lib/python3/dist-packages/qcelemental/info/cpu_info.py usr/lib/python3/dist-packages/qcelemental/info/data usr/lib/python3/dist-packages/qcelemental/info/data/__init__.py usr/lib/python3/dist-packages/qcelemental/info/data/cpu_data_blob.py usr/lib/python3/dist-packages/qcelemental/info/data/dft_data_blob.py usr/lib/python3/dist-packages/qcelemental/info/dft_info.py usr/lib/python3/dist-packages/qcelemental/models usr/lib/python3/dist-packages/qcelemental/models/__init__.py usr/lib/python3/dist-packages/qcelemental/models/align.py usr/lib/python3/dist-packages/qcelemental/models/basemodels.py usr/lib/python3/dist-packages/qcelemental/models/basis.py usr/lib/python3/dist-packages/qcelemental/models/common_models.py usr/lib/python3/dist-packages/qcelemental/models/molecule.py usr/lib/python3/dist-packages/qcelemental/models/procedures.py usr/lib/python3/dist-packages/qcelemental/models/results.py usr/lib/python3/dist-packages/qcelemental/models/types.py usr/lib/python3/dist-packages/qcelemental/molparse usr/lib/python3/dist-packages/qcelemental/molparse/__init__.py usr/lib/python3/dist-packages/qcelemental/molparse/chgmult.py usr/lib/python3/dist-packages/qcelemental/molparse/from_arrays.py usr/lib/python3/dist-packages/qcelemental/molparse/from_schema.py usr/lib/python3/dist-packages/qcelemental/molparse/from_string.py usr/lib/python3/dist-packages/qcelemental/molparse/nucleus.py usr/lib/python3/dist-packages/qcelemental/molparse/pubchem.py usr/lib/python3/dist-packages/qcelemental/molparse/regex.py usr/lib/python3/dist-packages/qcelemental/molparse/to_schema.py usr/lib/python3/dist-packages/qcelemental/molparse/to_string.py usr/lib/python3/dist-packages/qcelemental/molutil usr/lib/python3/dist-packages/qcelemental/molutil/__init__.py usr/lib/python3/dist-packages/qcelemental/molutil/align.py usr/lib/python3/dist-packages/qcelemental/molutil/connectivity.py usr/lib/python3/dist-packages/qcelemental/molutil/molecular_formula.py usr/lib/python3/dist-packages/qcelemental/molutil/test_molutil.py usr/lib/python3/dist-packages/qcelemental/periodic_table.py usr/lib/python3/dist-packages/qcelemental/physical_constants usr/lib/python3/dist-packages/qcelemental/physical_constants/__init__.py usr/lib/python3/dist-packages/qcelemental/physical_constants/context.py usr/lib/python3/dist-packages/qcelemental/physical_constants/ureg.py usr/lib/python3/dist-packages/qcelemental/testing.py usr/lib/python3/dist-packages/qcelemental/tests usr/lib/python3/dist-packages/qcelemental/tests/__init__.py usr/lib/python3/dist-packages/qcelemental/tests/addons.py usr/lib/python3/dist-packages/qcelemental/tests/namespacemodule usr/lib/python3/dist-packages/qcelemental/tests/namespacemodule/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicInput usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicInput/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicResult usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicResult/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicResultProperties usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/AtomicResultProperties/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/BasisSet usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/BasisSet/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/Molecule usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/Molecule/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/Provenance usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/Provenance/dummy usr/lib/python3/dist-packages/qcelemental/tests/qcschema_instances/README.md usr/lib/python3/dist-packages/qcelemental/tests/test_constants.py usr/lib/python3/dist-packages/qcelemental/tests/test_covalentradii.py usr/lib/python3/dist-packages/qcelemental/tests/test_datum.py usr/lib/python3/dist-packages/qcelemental/tests/test_gph_uno_bipartite.py usr/lib/python3/dist-packages/qcelemental/tests/test_importing.py usr/lib/python3/dist-packages/qcelemental/tests/test_info.py usr/lib/python3/dist-packages/qcelemental/tests/test_model_general.py usr/lib/python3/dist-packages/qcelemental/tests/test_model_results.py usr/lib/python3/dist-packages/qcelemental/tests/test_molecule.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_align_chiral.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_from_schema.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_from_string.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_parse_nucleus_label.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_pubchem.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_reconcile_nucleus.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_to_schema.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_to_string.py usr/lib/python3/dist-packages/qcelemental/tests/test_molparse_validate_and_fill_chgmult.py usr/lib/python3/dist-packages/qcelemental/tests/test_molutil.py usr/lib/python3/dist-packages/qcelemental/tests/test_periodictable.py usr/lib/python3/dist-packages/qcelemental/tests/test_scipy_hungarian.py usr/lib/python3/dist-packages/qcelemental/tests/test_testing.py usr/lib/python3/dist-packages/qcelemental/tests/test_units.py usr/lib/python3/dist-packages/qcelemental/tests/test_utils.py usr/lib/python3/dist-packages/qcelemental/tests/test_vanderwaalsradii.py usr/lib/python3/dist-packages/qcelemental/tests/test_zqcschema.py usr/lib/python3/dist-packages/qcelemental/util usr/lib/python3/dist-packages/qcelemental/util/__init__.py usr/lib/python3/dist-packages/qcelemental/util/autodocs.py usr/lib/python3/dist-packages/qcelemental/util/gph_uno_bipartite.py usr/lib/python3/dist-packages/qcelemental/util/importing.py usr/lib/python3/dist-packages/qcelemental/util/internal.py usr/lib/python3/dist-packages/qcelemental/util/itertools.py usr/lib/python3/dist-packages/qcelemental/util/misc.py usr/lib/python3/dist-packages/qcelemental/util/np_blockwise.py usr/lib/python3/dist-packages/qcelemental/util/np_rand3drot.py usr/lib/python3/dist-packages/qcelemental/util/scipy_hungarian.py usr/lib/python3/dist-packages/qcelemental/util/serialization.py usr/lib/python3/dist-packages/qcelemental/vanderwaals_radii.py usr/lib/python3/dist-packages/qcelemental-0.29.0.dist-info usr/lib/python3/dist-packages/qcelemental-0.29.0.dist-info/INSTALLER usr/lib/python3/dist-packages/qcelemental-0.29.0.dist-info/METADATA usr/lib/python3/dist-packages/qcelemental-0.29.0.dist-info/WHEEL usr/share usr/share/doc usr/share/doc/python3-qcelemental usr/share/doc/python3-qcelemental/README.md.gz usr/share/doc/python3-qcelemental/changelog.Debian.gz usr/share/doc/python3-qcelemental/changelog.gz usr/share/doc/python3-qcelemental/copyright