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quantum_package/data/inputs/PS.md5

24 lines
1.4 KiB
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bdbf233cd9f56f1d1ae558d6126cee27 PS.ezfio/ao_basis/ao_coef.gz
f067734b541deddf51dd16a0170d6725 PS.ezfio/ao_basis/ao_expo.gz
ea739497b7448c03c0119cf43a09db58 PS.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b PS.ezfio/ao_basis/ao_num
2c3c67c0a8bb2865cca1cc6c8632b6db PS.ezfio/ao_basis/ao_power.gz
976cfb0841e223d1b827ed6c88dd75b1 PS.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b PS.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b PS.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 PS.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b PS.ezfio/bielec_integrals/write_ao_integrals
1d091156436c0650218681b0f30a8754 PS.ezfio/electrons/elec_alpha_num
8d835c17bb93dc4b67ed4ec1d7197ffa PS.ezfio/electrons/elec_beta_num
fe9d6554292588b373eec94d01dea0b2 PS.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf PS.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb PS.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf PS.ezfio/hartree_fock/thresh_scf
3710ffbd73445209075639da9d92cc73 PS.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 PS.ezfio/mo_basis/mo_label
2d176e3fd2a2bc8ed352f827d87ded6b PS.ezfio/mo_basis/mo_tot_num
00ee4c36824e12f5d03e21b2c0879fcd PS.ezfio/nuclei/nucl_charge.gz
0e73bec337838d51090954b08c10b346 PS.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 PS.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b PS.ezfio/output/empty