Base Package:
mingw-w64-python-qcengine

Description:
A compute wrapper for Quantum Chemistry. (mingw-w64)
Group(s):
-
Repo:
ucrt64
Homepage:
https://github.com/MolSSI/QCEngine
License(s):
BSD-3-Clause
Version:
0.30.0-2
External:
Anitya
python-qcengine
AUR
0.29.0
PyPI
0.30.0
Repology
python-qcengine

Installation:
pacman -S mingw-w64-ucrt-x86_64-python-qcengine
File:
https://mirror.msys2.org/mingw/ucrt64/mingw-w64-ucrt-x86_64-python-qcengine-0.30.0-2-any.pkg.tar.zst
SHA256:
791d9a17d121b86c32798b667f1cb479b8f83bc9fb0b06237c30ff149e783ecd
Last Packager:
CI (msys2/msys2-autobuild/00495cb2/9983179131)
Build Date:
2024-07-18 00:26:39
Package Size:
0.66 MB
Installed Size:
4.53 MB
Source-Only Tarball:
https://mirror.msys2.org/mingw/sources/mingw-w64-python-qcengine-0.30.0-2.src.tar.zst

Dependencies:
Optional Dependencies:
-
Build Dependencies:
Check Dependencies:
-
Provides:
-
Conflicts:
-
Replaces:
-

Provided By:
-
Required By:

Files:
/ucrt64/bin/qcengine.exe
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/LICENSE
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/METADATA
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/RECORD
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/WHEEL
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/entry_points.txt
/ucrt64/lib/python3.11/site-packages/qcengine-0.30.0.dist-info/top_level.txt
/ucrt64/lib/python3.11/site-packages/qcengine/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/__main__.py
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/__main__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/__main__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/_version.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/_version.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/cli.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/cli.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/compute.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/compute.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/config.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/config.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/exceptions.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/exceptions.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/extras.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/extras.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/mdi_server.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/mdi_server.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/stock_mols.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/stock_mols.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/testing.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/testing.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/units.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/units.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/util.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/__pycache__/util.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/_version.py
/ucrt64/lib/python3.11/site-packages/qcengine/cli.py
/ucrt64/lib/python3.11/site-packages/qcengine/compute.py
/ucrt64/lib/python3.11/site-packages/qcengine/config.py
/ucrt64/lib/python3.11/site-packages/qcengine/exceptions.py
/ucrt64/lib/python3.11/site-packages/qcengine/extras.py
/ucrt64/lib/python3.11/site-packages/qcengine/mdi_server.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/base.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/base.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/berny.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/berny.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/geometric.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/geometric.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/model.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/model.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/optking.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/optking.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/torsiondrive.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/__pycache__/torsiondrive.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/base.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/berny.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/geometric.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/model.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/__pycache__/harvester.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/__pycache__/harvester.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/nwchem_opt/harvester.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/optking.py
/ucrt64/lib/python3.11/site-packages/qcengine/procedures/torsiondrive.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/adcc.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/adcc.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/aimnet2.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/aimnet2.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/base.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/base.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/dftd3.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/dftd3.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/dftd_ng.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/dftd_ng.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/empirical_dispersion_resources.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/empirical_dispersion_resources.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/gcp.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/gcp.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mace.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mace.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/model.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/model.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/molpro.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/molpro.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mopac.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mopac.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mp2d.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mp2d.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mrchem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/mrchem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/openmm.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/openmm.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/psi4.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/psi4.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qchem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qchem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qcore.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qcore.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qcvar_identities_resources.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/qcvar_identities_resources.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/rdkit.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/rdkit.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem_frontend.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem_frontend.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem_pbs.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/terachem_pbs.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/torchani.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/torchani.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/xtb.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/__pycache__/xtb.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/adcc.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/aimnet2.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/base.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/germinate.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/germinate.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/harvester.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/harvester.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/keywords.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/keywords.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/runner.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/__pycache__/runner.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/germinate.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/harvester.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/keywords.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/cfour/runner.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/dftd3.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/dftd_ng.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/empirical_dispersion_resources.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/germinate.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/germinate.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/harvester.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/harvester.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/keywords.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/keywords.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/runner.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/__pycache__/runner.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/germinate.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/harvester.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/keywords.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gamess/runner.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/gcp.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/mace.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/model.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/molpro.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/mopac.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/mp2d.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/mrchem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/errors.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/errors.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/germinate.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/germinate.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/harvester.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/harvester.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/keywords.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/keywords.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/runner.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/__pycache__/runner.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/errors.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/germinate.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/harvester.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/keywords.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/nwchem/runner.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/openmm.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/psi4.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/qchem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/qcore.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/qcvar_identities_resources.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/rdkit.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/terachem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/terachem_frontend.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/terachem_pbs.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_contracts.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_contracts.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_ref.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_ref.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_runner.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/standard_suite_runner.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_adcc.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_adcc.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_alignment.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_alignment.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_canonical_config.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_canonical_config.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_canonical_fields.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_canonical_fields.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_dftd3_mp2d.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_dftd3_mp2d.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_dftd4.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_dftd4.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_ghost.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_ghost.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_molpro.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_molpro.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_mrchem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_mrchem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_nwchem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_nwchem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_programs.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_programs.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_qchem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_qchem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_qcore.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_qcore.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_sdftd3.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_sdftd3.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_ccsd(t).cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_ccsd(t).cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_hf.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_standard_suite_hf.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_terachem.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_terachem.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_terachem_pbs.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_terachem_pbs.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_turbomole.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_turbomole.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_xtb.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/__pycache__/test_xtb.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/standard_suite_contracts.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/standard_suite_ref.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/standard_suite_runner.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_adcc.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_alignment.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_canonical_config.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_canonical_fields.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_dftd3_mp2d.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_dftd4.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_ghost.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_molpro.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_mrchem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_nwchem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_programs.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_qchem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_qcore.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_sdftd3.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_standard_suite.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_standard_suite_ccsd(t).py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_standard_suite_hf.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_terachem.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_terachem_pbs.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_turbomole.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/tests/test_xtb.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/torchani.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/define.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/define.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/harvester.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/harvester.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/methods.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/methods.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/runner.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/__pycache__/runner.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/define.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/harvester.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/methods.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/turbomole/runner.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/ao_reordering.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/ao_reordering.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/hessparse.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/hessparse.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/pdict.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/__pycache__/pdict.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/ao_reordering.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/hessparse.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/util/pdict.py
/ucrt64/lib/python3.11/site-packages/qcengine/programs/xtb.py
/ucrt64/lib/python3.11/site-packages/qcengine/stock_mols.py
/ucrt64/lib/python3.11/site-packages/qcengine/testing.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__init__.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/__init__.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/__init__.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_cli.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_cli.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_config.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_config.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_harness_canonical.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_harness_canonical.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_mdi.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_mdi.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_procedures.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_procedures.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_program_utils.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_program_utils.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_utils.cpython-311.opt-1.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/__pycache__/test_utils.cpython-311.pyc
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_cli.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_config.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_harness_canonical.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_mdi.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_procedures.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_program_utils.py
/ucrt64/lib/python3.11/site-packages/qcengine/tests/test_utils.py
/ucrt64/lib/python3.11/site-packages/qcengine/units.py
/ucrt64/lib/python3.11/site-packages/qcengine/util.py
/ucrt64/share/licenses/python-qcengine/LICENSE
Last Update: 2024-07-24 13:40:10 [Request update]