MANIFEST.in
README.rst
dependencies.json
setup.py
gbasis/__init__.py
gbasis/boys.cpp
gbasis/boys.h
gbasis/boys.pxd
gbasis/boys_inc.cpp
gbasis/calc.cpp
gbasis/calc.h
gbasis/cartpure.cpp
gbasis/cartpure.h
gbasis/cartpure.pxd
gbasis/cext.pyx
gbasis/cholesky.cpp
gbasis/cholesky.h
gbasis/cholesky.pxd
gbasis/common.cpp
gbasis/common.h
gbasis/common.pxd
gbasis/fns.cpp
gbasis/fns.h
gbasis/fns.pxd
gbasis/gbasis.cpp
gbasis/gbasis.h
gbasis/gbasis.pxd
gbasis/gbw.cpp
gbasis/gbw.h
gbasis/gbw.pxd
gbasis/gobasis.py
gbasis/ints.cpp
gbasis/ints.h
gbasis/ints.pxd
gbasis/iobas.py
gbasis/iter_gb.cpp
gbasis/iter_gb.h
gbasis/iter_gb.pxd
gbasis/iter_pow.cpp
gbasis/iter_pow.h
gbasis/iter_pow.pxd
gbasis/nucpot.cpp
gbasis/nucpot.h
gbasis/nucpot.pxd
gbasis/periodic.py
gbasis/utils.py
gbasis/version.py
gbasis.egg-info/PKG-INFO
gbasis.egg-info/SOURCES.txt
gbasis.egg-info/dependency_links.txt
gbasis.egg-info/not-zip-safe
gbasis.egg-info/requires.txt
gbasis.egg-info/top_level.txt
gbasis/bsets/3-21++g(d).nwchem
gbasis/bsets/3-21g(d).nwchem
gbasis/bsets/3-21g.gbs
gbasis/bsets/3-21g.nwchem
gbasis/bsets/4-31g.nwchem
gbasis/bsets/6-31++g(d,p).nwchem
gbasis/bsets/6-31+g(d).nwchem
gbasis/bsets/6-31+g(d,p).nwchem
gbasis/bsets/6-31+g.nwchem
gbasis/bsets/6-31g(d).nwchem
gbasis/bsets/6-31g(d,p).nwchem
gbasis/bsets/6-31g.nwchem
gbasis/bsets/ano-rcc.nwchem
gbasis/bsets/aug-cc-pcvdz.nwchem
gbasis/bsets/aug-cc-pcvqz.nwchem
gbasis/bsets/aug-cc-pcvtz.nwchem
gbasis/bsets/aug-cc-pv5z.nwchem
gbasis/bsets/aug-cc-pv6z.nwchem
gbasis/bsets/aug-cc-pvdz.nwchem
gbasis/bsets/aug-cc-pvqz.nwchem
gbasis/bsets/aug-cc-pvtz.nwchem
gbasis/bsets/cc-pcvdz.nwchem
gbasis/bsets/cc-pcvqz.nwchem
gbasis/bsets/cc-pcvtz.nwchem
gbasis/bsets/cc-pvdz.nwchem
gbasis/bsets/cc-pvqz.nwchem
gbasis/bsets/cc-pvtz.nwchem
gbasis/bsets/def2-qzvp.nwchem
gbasis/bsets/def2-qzvpd.nwchem
gbasis/bsets/def2-svpd.nwchem
gbasis/bsets/def2-tzvp.nwchem
gbasis/bsets/def2-tzvpd.nwchem
gbasis/bsets/sto-3g.gbs
gbasis/bsets/sto-3g.nwchem
gbasis/bsets/sto-6g.nwchem
gbasis/test/__init__.py
gbasis/test/common.py
gbasis/test/gobasis_data.py
gbasis/test/lightgrid.py
gbasis/test/mol_data.py
gbasis/test/test_boys.py
gbasis/test/test_cartpure.py
gbasis/test/test_cholesky.py
gbasis/test/test_common.py
gbasis/test/test_fns.py
gbasis/test/test_gbw.py
gbasis/test/test_gobasis.py
gbasis/test/test_ints.py
gbasis/test/test_iobas.py
gbasis/test/test_iter.py
gbasis/test/test_lightgrid.py
gbasis/test/cached/ch3_hf_sto3g_fchk/dipoles.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/dm.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_a_dms.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_a_occs.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_b_coeffs.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_b_dms.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/orbs_b_occs.npy
gbasis/test/cached/ch3_hf_sto3g_fchk/quads.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/dipoles.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/dm.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/kin.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/na.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/olp.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/orbs_a_coeffs.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/orbs_a_dms.npy
gbasis/test/cached/co_ccpv5z_cart_hf_g03_fchk/orbs_a_occs.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/dipoles.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/dm.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/kin.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/na.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/olp.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/orbs_a_coeffs.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/orbs_a_dms.npy
gbasis/test/cached/co_ccpv5z_pure_hf_g03_fchk/orbs_a_occs.npy
gbasis/test/cached/electron_repulsion_0_2_2_3_json/er.npy
gbasis/test/cached/electron_repulsion_4_3_2_1_json/er.npy
gbasis/test/cached/erf_repulsion_0_2_2_3_json/er.npy
gbasis/test/cached/erf_repulsion_4_3_2_1_json/er.npy
gbasis/test/cached/h3_hfs_321g_fchk/dipoles.npy
gbasis/test/cached/h3_hfs_321g_fchk/dm.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_a_dms.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_a_occs.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_b_coeffs.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_b_dms.npy
gbasis/test/cached/h3_hfs_321g_fchk/orbs_b_occs.npy
gbasis/test/cached/h3_hfs_321g_fchk/quads.npy
gbasis/test/cached/h3_pbe_321g_fchk/dipoles.npy
gbasis/test/cached/h3_pbe_321g_fchk/dm.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_a_dms.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_a_occs.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_b_coeffs.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_b_dms.npy
gbasis/test/cached/h3_pbe_321g_fchk/orbs_b_occs.npy
gbasis/test/cached/h3_pbe_321g_fchk/quads.npy
gbasis/test/cached/h_sto3g_fchk/dipoles.npy
gbasis/test/cached/h_sto3g_fchk/dm.npy
gbasis/test/cached/h_sto3g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/h_sto3g_fchk/orbs_a_dms.npy
gbasis/test/cached/h_sto3g_fchk/orbs_a_occs.npy
gbasis/test/cached/h_sto3g_fchk/orbs_b_coeffs.npy
gbasis/test/cached/h_sto3g_fchk/orbs_b_dms.npy
gbasis/test/cached/h_sto3g_fchk/orbs_b_occs.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/dipoles.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/dm.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_a_coeffs.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_a_dms.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_a_occs.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_b_coeffs.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_b_dms.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/orbs_b_occs.npy
gbasis/test/cached/li_h_3_21G_hf_g09_fchk/quads.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/dipoles.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/dm.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/orbs_a_coeffs.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/orbs_a_dms.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/orbs_a_occs.npy
gbasis/test/cached/monosilicic_acid_hf_lan_fchk/quads.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/dipoles.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/dm.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/orbs_a_dms.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/orbs_a_occs.npy
gbasis/test/cached/n2_hfs_sto3g_fchk/quads.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/dipoles.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/dm.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/er.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/kin.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/na.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/olp.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/orbs_a_coeffs.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/orbs_a_dms.npy
gbasis/test/cached/water_ccpvdz_cart_hf_g03_fchk/orbs_a_occs.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/dipoles.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/dm.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/er.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/kin.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/na.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/olp.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/orbs_a_coeffs.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/orbs_a_dms.npy
gbasis/test/cached/water_ccpvdz_pure_hf_g03_fchk/orbs_a_occs.npy
gbasis/test/cached/water_hfs_321g_fchk/dipoles.npy
gbasis/test/cached/water_hfs_321g_fchk/dm.npy
gbasis/test/cached/water_hfs_321g_fchk/orbs_a_coeffs.npy
gbasis/test/cached/water_hfs_321g_fchk/orbs_a_dms.npy
gbasis/test/cached/water_hfs_321g_fchk/orbs_a_occs.npy
gbasis/test/cached/water_hfs_321g_fchk/quads.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/dipoles.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/dm.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/er.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/kin.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/na.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/olp.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/orbs_a_coeffs.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/orbs_a_dms.npy
gbasis/test/cached/water_sto3g_hf_g03_fchk/orbs_a_occs.npy