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quantum_package/data/inputs/Cl2+.md5

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1.7 KiB
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333cdb9096490f5b182d3fa0d6f084d6 Cl2+.ezfio/ao_basis/ao_coef.gz
512bf16355295731f47781d377a2de87 Cl2+.ezfio/ao_basis/ao_expo.gz
3adbddc0f33e36b1228874fd5b0ff50f Cl2+.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b Cl2+.ezfio/ao_basis/ao_num
01017fd125082711b9ddd1345de508af Cl2+.ezfio/ao_basis/ao_power.gz
ce8317354752b927abc47bd91be5569e Cl2+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 Cl2+.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e Cl2+.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/bielec_integrals/write_mo_integrals
3354314be84298bd0a185fee97c87c44 Cl2+.ezfio/electrons/elec_alpha_num
1d091156436c0650218681b0f30a8754 Cl2+.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 Cl2+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl2+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb Cl2+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf Cl2+.ezfio/hartree_fock/thresh_scf
10be41a1ed4e58bd13860da5ef679ebc Cl2+.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 Cl2+.ezfio/mo_basis/mo_label
2d176e3fd2a2bc8ed352f827d87ded6b Cl2+.ezfio/mo_basis/mo_tot_num
24e3df72e8fe19871861e59b45ed5578 Cl2+.ezfio/nuclei/nucl_charge.gz
d45f473c899c837a6341565d8963ebaf Cl2+.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 Cl2+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl2+.ezfio/output/empty