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quantum_package/data/inputs/CO2.md5

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4f90557338e38a9a46f46b7016d83261 CO2.ezfio/ao_basis/ao_coef.gz
9f6d1754e7588c3d4494be4dc53da19b CO2.ezfio/ao_basis/ao_expo.gz
f88276e1df00245fc7e0358ae4548775 CO2.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
9b35e2a02ecae92c944cd0800edcee97 CO2.ezfio/ao_basis/ao_num
03e718dd1f6ae166564319644bf22b5f CO2.ezfio/ao_basis/ao_power.gz
0b9c6f7a911cf3e9f8915a0eb4448d50 CO2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CO2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CO2.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b CO2.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 CO2.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e CO2.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b CO2.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b CO2.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
86a89aacd3c5e8bdec809a62620500e9 CO2.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 CO2.ezfio/electrons/elec_beta_num
ed6cba5f0f7b3dac2582bc2992ad1fce CO2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CO2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CO2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CO2.ezfio/hartree_fock/thresh_scf
3fa03693fdedea176e4ac1f30b6c89c1 CO2.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CO2.ezfio/mo_basis/mo_label
9b35e2a02ecae92c944cd0800edcee97 CO2.ezfio/mo_basis/mo_tot_num
2a81df3c11d5cdd804bb6200155443aa CO2.ezfio/nuclei/nucl_charge.gz
ce4f1174980f2fd08382f30b61bd5509 CO2.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
fc7192d47339d0d2b75886b578c1b041 CO2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CO2.ezfio/output/empty