quantum_package/data/inputs/C2H.md5

27 lines
1.7 KiB
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63141898732ed06adf3aed5b4ac236aa C2H.ezfio/ao_basis/ao_coef.gz
9166351d1749a05da383c6cd7e8b1123 C2H.ezfio/ao_basis/ao_expo.gz
ba8923b4169dfe5a45838b5c9f27c4e4 C2H.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef C2H.ezfio/ao_basis/ao_num
361e474f1673a078739ab72fb9c223fd C2H.ezfio/ao_basis/ao_power.gz
91406385e379822456739160bd1538ec C2H.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b C2H.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b C2H.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 C2H.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e C2H.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b C2H.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H.ezfio/bielec_integrals/write_mo_integrals
4e94260b47ac90ce146cf693b6ea796f C2H.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb C2H.ezfio/electrons/elec_beta_num
4c7ba823d3c61eeec19012cf13f7b5bc C2H.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb C2H.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf C2H.ezfio/hartree_fock/thresh_scf
0f720251de5eeee7dddb2fd826d7e7ae C2H.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 C2H.ezfio/mo_basis/mo_label
ea2a34d42beeb57bfa1b3f55ec5280ef C2H.ezfio/mo_basis/mo_tot_num
eda2e6ef7ea7c5add6284b1759918f8b C2H.ezfio/nuclei/nucl_charge.gz
32c1d4a6d72ee08eb78de09ec0ebb343 C2H.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 C2H.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H.ezfio/output/empty