MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
basis_set_exchange/__init__.py
basis_set_exchange/_version.py
basis_set_exchange/api.py
basis_set_exchange/compose.py
basis_set_exchange/conftest.py
basis_set_exchange/fileio.py
basis_set_exchange/lut.py
basis_set_exchange/manip.py
basis_set_exchange/memo.py
basis_set_exchange/misc.py
basis_set_exchange/notes.py
basis_set_exchange/references.py
basis_set_exchange/validator.py
basis_set_exchange.egg-info/PKG-INFO
basis_set_exchange.egg-info/SOURCES.txt
basis_set_exchange.egg-info/dependency_links.txt
basis_set_exchange.egg-info/requires.txt
basis_set_exchange.egg-info/top_level.txt
basis_set_exchange.egg-info/zip-safe
basis_set_exchange/converters/__init__.py
basis_set_exchange/converters/bsejson.py
basis_set_exchange/converters/common.py
basis_set_exchange/converters/convert.py
basis_set_exchange/converters/g94.py
basis_set_exchange/converters/gamess_us.py
basis_set_exchange/converters/nwchem.py
basis_set_exchange/converters/psi4.py
basis_set_exchange/converters/turbomole.py
basis_set_exchange/curate/__init__.py
basis_set_exchange/curate/compare.py
basis_set_exchange/curate/compare_ref.py
basis_set_exchange/curate/metadata.py
basis_set_exchange/curate/printing.py
basis_set_exchange/curate/readers/__init__.py
basis_set_exchange/curate/readers/g94.py
basis_set_exchange/curate/readers/gbasis.py
basis_set_exchange/curate/readers/nwchem.py
basis_set_exchange/curate/readers/read.py
basis_set_exchange/curate/readers/turbomole.py
basis_set_exchange/data/3-21G.0.table.json
basis_set_exchange/data/4-31G.0.table.json
basis_set_exchange/data/4-31G.1.table.json
basis_set_exchange/data/5-21G.1.table.json
basis_set_exchange/data/6-21G.1.table.json
basis_set_exchange/data/6-311G.0.table.json
basis_set_exchange/data/6-311GS.0.table.json
basis_set_exchange/data/6-311GSS.0.table.json
basis_set_exchange/data/6-31G.0.table.json
basis_set_exchange/data/6-31G.1.table.json
basis_set_exchange/data/6-31GS.0.table.json
basis_set_exchange/data/6-31GS.1.table.json
basis_set_exchange/data/6-31GSS.0.table.json
basis_set_exchange/data/6-31GSS.1.table.json
basis_set_exchange/data/6-31PG.0.table.json
basis_set_exchange/data/6-31PG.1.table.json
basis_set_exchange/data/6-31PGS.0.table.json
basis_set_exchange/data/6-31PGS.1.table.json
basis_set_exchange/data/6-31PGSS.0.table.json
basis_set_exchange/data/6-31PGSS.1.table.json
basis_set_exchange/data/6-31PPG.0.table.json
basis_set_exchange/data/6-31PPG.1.table.json
basis_set_exchange/data/6-31PPGS.0.table.json
basis_set_exchange/data/6-31PPGS.1.table.json
basis_set_exchange/data/6-31PPGSS.0.table.json
basis_set_exchange/data/6-31PPGSS.1.table.json
basis_set_exchange/data/CRENBL-ECP.0.table.json
basis_set_exchange/data/CRENBL.0.table.json
basis_set_exchange/data/CRENBS-ECP.0.table.json
basis_set_exchange/data/CRENBS.0.table.json
basis_set_exchange/data/DZP.0.table.json
basis_set_exchange/data/LANL2DZ-ECP.0.table.json
basis_set_exchange/data/LANL2DZ.0.table.json
basis_set_exchange/data/METADATA.json
basis_set_exchange/data/MIDI.0.table.json
basis_set_exchange/data/MIDI.1.table.json
basis_set_exchange/data/MINI-scaled.0.table.json
basis_set_exchange/data/MINI-scaled.1.table.json
basis_set_exchange/data/MINI.0.table.json
basis_set_exchange/data/MINI.1.table.json
basis_set_exchange/data/NOTES.ahlrichs
basis_set_exchange/data/NOTES.ahlrichs_fit
basis_set_exchange/data/NOTES.crenb
basis_set_exchange/data/NOTES.dunning
basis_set_exchange/data/NOTES.dunning_fit
basis_set_exchange/data/NOTES.lanl
basis_set_exchange/data/NOTES.pople
basis_set_exchange/data/NOTES.sto
basis_set_exchange/data/QZP.0.table.json
basis_set_exchange/data/REFERENCES.json
basis_set_exchange/data/STO-2G.0.table.json
basis_set_exchange/data/STO-2G.1.table.json
basis_set_exchange/data/STO-3G.0.table.json
basis_set_exchange/data/STO-3G.1.table.json
basis_set_exchange/data/STO-4G.1.table.json
basis_set_exchange/data/STO-5G.1.table.json
basis_set_exchange/data/STO-6G.0.table.json
basis_set_exchange/data/STO-6G.1.table.json
basis_set_exchange/data/TZP.0.table.json
basis_set_exchange/data/__init__.py
basis_set_exchange/data/aug-cc-pV5+dZ.0.table.json
basis_set_exchange/data/aug-cc-pV5+dZ.1.table.json
basis_set_exchange/data/aug-cc-pV5Z-RIFIT.0.table.json
basis_set_exchange/data/aug-cc-pV5Z.0.table.json
basis_set_exchange/data/aug-cc-pV5Z.1.table.json
basis_set_exchange/data/aug-cc-pV6Z-RIFIT.0.table.json
basis_set_exchange/data/aug-cc-pV6Z.0.table.json
basis_set_exchange/data/aug-cc-pV6Z.1.table.json
basis_set_exchange/data/aug-cc-pVD+dZ.0.table.json
basis_set_exchange/data/aug-cc-pVD+dZ.1.table.json
basis_set_exchange/data/aug-cc-pVDZ-RIFIT.0.table.json
basis_set_exchange/data/aug-cc-pVDZ.0.table.json
basis_set_exchange/data/aug-cc-pVDZ.1.table.json
basis_set_exchange/data/aug-cc-pVQ+dZ.0.table.json
basis_set_exchange/data/aug-cc-pVQ+dZ.1.table.json
basis_set_exchange/data/aug-cc-pVQZ-RIFIT.0.table.json
basis_set_exchange/data/aug-cc-pVQZ.0.table.json
basis_set_exchange/data/aug-cc-pVQZ.1.table.json
basis_set_exchange/data/aug-cc-pVT+dZ.0.table.json
basis_set_exchange/data/aug-cc-pVT+dZ.1.table.json
basis_set_exchange/data/aug-cc-pVTZ-RIFIT.0.table.json
basis_set_exchange/data/aug-cc-pVTZ.0.table.json
basis_set_exchange/data/aug-cc-pVTZ.1.table.json
basis_set_exchange/data/cc-pV5+dZ.0.table.json
basis_set_exchange/data/cc-pV5+dZ.1.table.json
basis_set_exchange/data/cc-pV5Z-RIFIT.0.table.json
basis_set_exchange/data/cc-pV5Z.0.table.json
basis_set_exchange/data/cc-pV5Z.1.table.json
basis_set_exchange/data/cc-pV6Z-RIFIT.0.table.json
basis_set_exchange/data/cc-pV6Z.0.table.json
basis_set_exchange/data/cc-pV6Z.1.table.json
basis_set_exchange/data/cc-pVD+dZ.0.table.json
basis_set_exchange/data/cc-pVD+dZ.1.table.json
basis_set_exchange/data/cc-pVDZ-RIFIT.0.table.json
basis_set_exchange/data/cc-pVDZ.0.table.json
basis_set_exchange/data/cc-pVDZ.1.table.json
basis_set_exchange/data/cc-pVQ+dZ.0.table.json
basis_set_exchange/data/cc-pVQ+dZ.1.table.json
basis_set_exchange/data/cc-pVQZ-RIFIT.0.table.json
basis_set_exchange/data/cc-pVQZ.0.table.json
basis_set_exchange/data/cc-pVQZ.1.table.json
basis_set_exchange/data/cc-pVT+dZ.0.table.json
basis_set_exchange/data/cc-pVT+dZ.1.table.json
basis_set_exchange/data/cc-pVTZ-RIFIT.0.table.json
basis_set_exchange/data/cc-pVTZ.0.table.json
basis_set_exchange/data/cc-pVTZ.1.table.json
basis_set_exchange/data/def2-ECP.1.table.json
basis_set_exchange/data/def2-QZVP-RIFIT.1.table.json
basis_set_exchange/data/def2-QZVP.1.table.json
basis_set_exchange/data/def2-QZVPD.1.table.json
basis_set_exchange/data/def2-QZVPP-RIFIT.1.table.json
basis_set_exchange/data/def2-QZVPP.1.table.json
basis_set_exchange/data/def2-QZVPPD-RIFIT.1.table.json
basis_set_exchange/data/def2-QZVPPD.1.table.json
basis_set_exchange/data/def2-SV(P)-JKFIT.1.table.json
basis_set_exchange/data/def2-SV(P)-RIFIT.1.table.json
basis_set_exchange/data/def2-SV(P).1.table.json
basis_set_exchange/data/def2-SVP-RIFIT.1.table.json
basis_set_exchange/data/def2-SVP.1.table.json
basis_set_exchange/data/def2-SVPD-RIFIT.1.table.json
basis_set_exchange/data/def2-SVPD.1.table.json
basis_set_exchange/data/def2-TZVP-RIFIT.1.table.json
basis_set_exchange/data/def2-TZVP.1.table.json
basis_set_exchange/data/def2-TZVPD-RIFIT.1.table.json
basis_set_exchange/data/def2-TZVPD.1.table.json
basis_set_exchange/data/def2-TZVPP-RIFIT.1.table.json
basis_set_exchange/data/def2-TZVPP.1.table.json
basis_set_exchange/data/def2-TZVPPD-RIFIT.1.table.json
basis_set_exchange/data/def2-TZVPPD.1.table.json
basis_set_exchange/data/def2-universal-JFIT.1.table.json
basis_set_exchange/data/def2-universal-JKFIT.1.table.json
basis_set_exchange/data/ahlrichs/__init__.py
basis_set_exchange/data/ahlrichs/def2-ECP.1.element.json
basis_set_exchange/data/ahlrichs/def2-QZVP.1.element.json
basis_set_exchange/data/ahlrichs/def2-QZVPD.1.element.json
basis_set_exchange/data/ahlrichs/def2-QZVPP.1.element.json
basis_set_exchange/data/ahlrichs/def2-QZVPPD.1.element.json
basis_set_exchange/data/ahlrichs/def2-SV(P).1.element.json
basis_set_exchange/data/ahlrichs/def2-SVP.1.element.json
basis_set_exchange/data/ahlrichs/def2-SVPD.1.element.json
basis_set_exchange/data/ahlrichs/def2-TZVP.1.element.json
basis_set_exchange/data/ahlrichs/def2-TZVPD.1.element.json
basis_set_exchange/data/ahlrichs/def2-TZVPP.1.element.json
basis_set_exchange/data/ahlrichs/def2-TZVPPD.1.element.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_andrae1990a.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_cao2001a.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_dolg1989a_dolg1993b.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_dolg1989b.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_kaupp1991a.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_leininger1996a.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_metz2000a.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_metz2000b.1.json
basis_set_exchange/data/ahlrichs/ECP/def2-ECP_peterson2003b.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-add_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-add_weigend2003a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-base_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-base_weigend2003a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVP-base_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPD-add_rappoport2010a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPD.txt
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPP-add_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPP-add_weigend2003a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPP-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPP.txt
basis_set_exchange/data/ahlrichs/QZV/def2-QZVPPD.txt
basis_set_exchange/data/ahlrichs/SV/def2-SV(P)-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SV(P).txt
basis_set_exchange/data/ahlrichs/SV/def2-SV-base_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SV-base_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SVP-add_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SVP-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SVPD-add_rappoport2010a.1.json
basis_set_exchange/data/ahlrichs/SV/def2-SVPD.txt
basis_set_exchange/data/ahlrichs/TZV/def2-TZVP-add_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVP-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVP-base_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVP-base_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPD-add_rappoport2010a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPD.txt
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPP-add_gulde2012a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPP-add_weigend2005a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPP.txt
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPPD-add_rappoport2010a.1.json
basis_set_exchange/data/ahlrichs/TZV/def2-TZVPPD.txt
basis_set_exchange/data/ahlrichs_fit/def2-QZVPP-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-QZVPP-RIFIT_hattig2005a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-QZVPP-RIFIT_hellweg2007a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-QZVPPD-RIFIT-add_hellweg2015a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-QZVPPD-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-JKFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-JKFIT_weigend2008a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-RIFIT_hattig2005a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-RIFIT_hellweg2007a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SV(P)-RIFIT_weigend1998a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SVP-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-SVP-RIFIT_hattig2005a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SVP-RIFIT_hellweg2007a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SVP-RIFIT_weigend1998a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SVPD-RIFIT-add_hellweg2015a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-SVPD-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVP-RIFIT.1.element.json
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basis_set_exchange/data/ahlrichs_fit/def2-TZVP-RIFIT_hellweg2007a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVP-RIFIT_weigend1998a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPD-RIFIT-add_hellweg2015a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPD-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPP-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPP-RIFIT_hattig2005a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPP-RIFIT_hellweg2007a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPP-RIFIT_weigend1998a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-TZVPPD-RIFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JFIT_gulde2012a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JFIT_weigend2006a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JKFIT.1.element.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JKFIT_gulde2012a.1.json
basis_set_exchange/data/ahlrichs_fit/def2-universal-JKFIT_weigend2008a.1.json
basis_set_exchange/data/crenb/CRENBL-ECP.0.element.json
basis_set_exchange/data/crenb/CRENBL-ECP_ermler1991a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_hurley1986a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_lajohn1987a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_nash1997a_nash1999a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_pacios1985a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_ross1990a.0.json
basis_set_exchange/data/crenb/CRENBL-ECP_ross1994a.0.json
basis_set_exchange/data/crenb/CRENBL.0.element.json
basis_set_exchange/data/crenb/CRENBL_ermler1991a.0.json
basis_set_exchange/data/crenb/CRENBL_hurley1986a.0.json
basis_set_exchange/data/crenb/CRENBL_lajohn1987a.0.json
basis_set_exchange/data/crenb/CRENBL_nash1997a_nash1999a.0.json
basis_set_exchange/data/crenb/CRENBL_noref.0.json
basis_set_exchange/data/crenb/CRENBL_pacios1985a.0.json
basis_set_exchange/data/crenb/CRENBL_ross1990a.0.json
basis_set_exchange/data/crenb/CRENBL_ross1994a.0.json
basis_set_exchange/data/crenb/CRENBS-ECP.0.element.json
basis_set_exchange/data/crenb/CRENBS-ECP_hurley1986a.0.json
basis_set_exchange/data/crenb/CRENBS-ECP_lajohn1987a.0.json
basis_set_exchange/data/crenb/CRENBS-ECP_nash1997a_nash1999a.0.json
basis_set_exchange/data/crenb/CRENBS-ECP_ross1990a.0.json
basis_set_exchange/data/crenb/CRENBS.0.element.json
basis_set_exchange/data/crenb/CRENBS_hurley1986a.0.json
basis_set_exchange/data/crenb/CRENBS_lajohn1987a.0.json
basis_set_exchange/data/crenb/CRENBS_nash1997a_nash1999a.0.json
basis_set_exchange/data/crenb/CRENBS_ross1990a.0.json
basis_set_exchange/data/crenb/__init__.py
basis_set_exchange/data/dunning/__init__.py
basis_set_exchange/data/dunning/aug-cc-pV5+dZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pV5Z.1.element.json
basis_set_exchange/data/dunning/aug-cc-pV6Z.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVD+dZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVDZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVQ+dZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVQZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVT+dZ.1.element.json
basis_set_exchange/data/dunning/aug-cc-pVTZ.1.element.json
basis_set_exchange/data/dunning/cc-pV5+dZ-add_dunning2001a.1.json
basis_set_exchange/data/dunning/cc-pV5+dZ-add_prascher2011a.1.json
basis_set_exchange/data/dunning/cc-pV5+dZ-diffuse_dunning2001a.1.json
basis_set_exchange/data/dunning/cc-pV5+dZ-diffuse_prascher2011a.1.json
basis_set_exchange/data/dunning/cc-pV5+dZ.1.element.json
basis_set_exchange/data/dunning/cc-pV5Z-add_prascher2011a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-add_woon1993a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-base_prascher2011a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-base_woon1993a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_balabanov2005a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_kendall1992a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_prascher2011a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_wilson1999a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_woon1993a.1.json
basis_set_exchange/data/dunning/cc-pV5Z-diffuse_woon1994a.1.json
basis_set_exchange/data/dunning/cc-pV5Z.1.element.json
basis_set_exchange/data/dunning/cc-pV5Z_balabanov2005a.1.json
basis_set_exchange/data/dunning/cc-pV5Z_dunning1989a.1.json
basis_set_exchange/data/dunning/cc-pV5Z_koput2002a.1.json
basis_set_exchange/data/dunning/cc-pV5Z_wilson1999a.1.json
basis_set_exchange/data/dunning/cc-pV5Z_woon1994a.1.json
basis_set_exchange/data/dunning/cc-pV6Z-diffuse_mourik1999a.1.json
basis_set_exchange/data/dunning/cc-pV6Z-diffuse_mourik2000a.1.json
basis_set_exchange/data/dunning/cc-pV6Z-diffuse_peterson1994a.1.json
basis_set_exchange/data/dunning/cc-pV6Z.1.element.json
basis_set_exchange/data/dunning/cc-pV6Z_mourik2000a.1.json
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