LICENSE
MANIFEST.in
README.md
requirements.txt
setup.cfg
setup.py
pyfock/Basis.py
pyfock/DFT.py
pyfock/DFT_Helper_Coulomb.py
pyfock/DFT_NumGrad.py
pyfock/Data.py
pyfock/Graphics.py
pyfock/Graphics_old.py
pyfock/Grids.py
pyfock/HF.py
pyfock/HF_atoms.py
pyfock/Integrals_.py
pyfock/Mol.py
pyfock/PBC_ring.py
pyfock/PBC_torus.py
pyfock/UHF_atoms.py
pyfock/__init__.py
pyfock/ase_calculator.py
pyfock/densfuncs.py
pyfock.egg-info/PKG-INFO
pyfock.egg-info/SOURCES.txt
pyfock.egg-info/dependency_links.txt
pyfock.egg-info/requires.txt
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pyfock/Integrals/bf_val_helpers.py
pyfock/Integrals/conv_2c2e_symm.py
pyfock/Integrals/conv_3c2e_symm.py
pyfock/Integrals/conv_4c2e_symm.py
pyfock/Integrals/cross_overlap_mat_symm.py
pyfock/Integrals/dipole_moment_mat_symm.py
pyfock/Integrals/dipole_moment_mat_symm_cupy.py
pyfock/Integrals/eval_xc_1.py
pyfock/Integrals/eval_xc_1_cupy.py
pyfock/Integrals/eval_xc_2.py
pyfock/Integrals/eval_xc_2_cupy.py
pyfock/Integrals/eval_xc_3_cupy.py
pyfock/Integrals/hgp_helper.py
pyfock/Integrals/integral_helpers.py
pyfock/Integrals/kin_mat_grad_symm.py
pyfock/Integrals/kin_mat_symm.py
pyfock/Integrals/kin_mat_symm_cupy.py
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pyfock/Integrals/mmd_4c2e_symm.py
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pyfock/Integrals/os_3c2e_symm.py
pyfock/Integrals/os_4c2e_schwarz_symm.py
pyfock/Integrals/os_4c2e_symm.py
pyfock/Integrals/os_4c2e_symm_old.py
pyfock/Integrals/os_coulomb_matrix.py
pyfock/Integrals/overlap_mat_grad_symm.py
pyfock/Integrals/overlap_mat_symm.py
pyfock/Integrals/overlap_mat_symm_cupy.py
pyfock/Integrals/rys_2c2e_diag.py
pyfock/Integrals/rys_2c2e_symm.py
pyfock/Integrals/rys_2c2e_symm_cupy.py
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pyfock/Integrals/rys_3c2e_symm_cupy.py
pyfock/Integrals/rys_3c2e_symm_cupy_fp32.py
pyfock/Integrals/rys_3c2e_tri.py
pyfock/Integrals/rys_4c2e_schwarz_sparse_symm.py
pyfock/Integrals/rys_4c2e_schwarz_symm.py
pyfock/Integrals/rys_4c2e_symm.py
pyfock/Integrals/rys_coulomb_matrix.py
pyfock/Integrals/rys_coulomb_matrix_sparse.py
pyfock/Integrals/rys_helpers.py
pyfock/Integrals/rys_helpers_4c2e.py
pyfock/Integrals/rys_helpers_cuda.py
pyfock/Integrals/rys_nuc_mat_symm.py
pyfock/Integrals/schwarz_helpers.py
pyfock/Integrals/schwarz_helpers_cupy.py
pyfock/Integrals/taylor.py
pyfock/Utils/Cube.py
pyfock/Utils/__init__.py
pyfock/Utils/ascii_data.py
pyfock/Utils/print_logo.py
pyfock/Utils/print_scientist.py
pyfock/Utils/rotate.py
pyfock/Utils/system_information.py
pyfock/Utils/write_density_cube.py
pyfock/Utils/write_orbital_cube.py
pyfock/XC/__init__.py
pyfock/XC/gga_c_lyp.py
pyfock/XC/gga_c_p86.py
pyfock/XC/gga_c_pbe.py
pyfock/XC/gga_c_pbe_sol.py
pyfock/XC/gga_c_pw91.py
pyfock/XC/gga_x_b88.py
pyfock/XC/gga_x_pbe.py
pyfock/XC/gga_x_pbe_sol.py
pyfock/XC/gga_x_pw91.py
pyfock/XC/gga_x_rpbe.py
pyfock/XC/lda_c_pw.py
pyfock/XC/lda_c_pw_mod.py
pyfock/XC/lda_c_pz.py
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