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quantum_package/data/inputs/Mg.md5

24 lines
1.4 KiB
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5cc4b80bf6cd534381e69e1c71de33c7 Mg.ezfio/ao_basis/ao_coef.gz
95dbe8359bc8174fc959cabf38d33ffe Mg.ezfio/ao_basis/ao_expo.gz
17aafb76753938a38008c01f94f846d8 Mg.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Mg.ezfio/ao_basis/ao_num
72eeb447f8188297bcb4f9ab0f6b83fb Mg.ezfio/ao_basis/ao_power.gz
613e3e64a1bb0b21c76d0444f938cb92 Mg.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b Mg.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b Mg.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 Mg.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b Mg.ezfio/bielec_integrals/write_ao_integrals
503018260a2f6fc8557fcf29300fa8bb Mg.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb Mg.ezfio/electrons/elec_beta_num
f33138f33a3baac41e36a2a9cfd25932 Mg.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Mg.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb Mg.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf Mg.ezfio/hartree_fock/thresh_scf
218af19ba782fd0251aa775953243c43 Mg.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 Mg.ezfio/mo_basis/mo_label
a62103800a061f58b2b696f7c5119e54 Mg.ezfio/mo_basis/mo_tot_num
e4a540853850845f754943da4543bc47 Mg.ezfio/nuclei/nucl_charge.gz
9676fa167a86c42886fd7b2cd19e8445 Mg.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Mg.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Mg.ezfio/output/empty