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quantum_package/data/inputs/MgCl.md5

24 lines
1.5 KiB
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ecf2bbb6d188ca2720e4ec5ce31a33c4 MgCl.ezfio/ao_basis/ao_coef.gz
9509211dff9892c40610115694a14f98 MgCl.ezfio/ao_basis/ao_expo.gz
d3421c7e0df1a27e844f2c866344369b MgCl.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b MgCl.ezfio/ao_basis/ao_num
db1774d23a871c66baf53c656bf05ced MgCl.ezfio/ao_basis/ao_power.gz
6ecb5ad9773729a5b928037f926cdba2 MgCl.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b MgCl.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b MgCl.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 MgCl.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b MgCl.ezfio/bielec_integrals/write_ao_integrals
8d835c17bb93dc4b67ed4ec1d7197ffa MgCl.ezfio/electrons/elec_alpha_num
757c9248d7ddb2778d3df1b1ba938d15 MgCl.ezfio/electrons/elec_beta_num
795cad23d8b99374b24ab79bbbfdce5e MgCl.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf MgCl.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb MgCl.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf MgCl.ezfio/hartree_fock/thresh_scf
05eed6d3dc729e1883321003542ad889 MgCl.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 MgCl.ezfio/mo_basis/mo_label
2d176e3fd2a2bc8ed352f827d87ded6b MgCl.ezfio/mo_basis/mo_tot_num
8647fc7f85e44f08b9e4edea0d9f7494 MgCl.ezfio/nuclei/nucl_charge.gz
fd652643c581d3dbb4f6bc10b2c11ff4 MgCl.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 MgCl.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b MgCl.ezfio/output/empty