.gitignore
.gitlab-ci.yml
MANIFEST.in
README.md
pyproject.toml
.gitlab/merge_request_templates/default.md
atomdriver/__init__.py
atomdriver/abstract_driver.py
atomdriver/accessors.py
atomdriver/context.py
atomdriver/exceptions.py
atomdriver/project.py
atomdriver/properties.py
atomdriver/registry.yaml
atomdriver/util.py
atomdriver/drivers/__init__.py
atomdriver/drivers/cp2k.py
atomdriver/drivers/gamess.py
atomdriver/drivers/libxtb.py
atomdriver/drivers/mopac.py
atomdriver/drivers/nwchem.py
atomdriver/drivers/orca.py
atomdriver/drivers/pyscf.py
atomdriver/drivers/qchem.py
atomdriver/drivers/xtb.py
atomdriver/drivers/xtbcommon.py
atomdriver_qc.egg-info/PKG-INFO
atomdriver_qc.egg-info/SOURCES.txt
atomdriver_qc.egg-info/dependency_links.txt
atomdriver_qc.egg-info/requires.txt
atomdriver_qc.egg-info/top_level.txt
deploy/apache-2-min.tmpl
deploy/check_license.py
deploy/pypi_publish.sh
docs/Makefile
docs/conf.py
docs/index.rst
docs/make.bat
tests/__init__.py
tests/_util.py
tests/run_tests.py
tests/test_accessors.py
tests/test_driver.py
tests/drivers/__init__.py
tests/drivers/test_CP2K.py
tests/drivers/test_GAMESS.py
tests/drivers/test_LibXTB.py
tests/drivers/test_MOPAC.py
tests/drivers/test_NWChem.py
tests/drivers/test_ORCA.py
tests/drivers/test_PySCF.py
tests/drivers/test_QChem.py
tests/drivers/test_XTB.py
tests/drivers/util.py
tests/drivers/qchem_outfiles/__init__.py
tests/drivers/qchem_outfiles/test_CCSD.out
tests/drivers/qchem_outfiles/test_CCSDT.out
tests/drivers/qchem_outfiles/test_CISD.out
tests/drivers/qchem_outfiles/test_GRAD.out
tests/drivers/qchem_outfiles/test_MP2.out
tests/drivers/qchem_outfiles/test_RIMP2.out
tests/drivers/qchem_outfiles/test_bad_mult.out
tests/drivers/qchem_outfiles/test_wb97xv.out
tests/drivers/qchem_outfiles/test_wb97xv_no_scfman.out