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https://github.com/LCPQ/quantum_package
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27 lines
1.7 KiB
Plaintext
27 lines
1.7 KiB
Plaintext
28a5d914247ae09d9de54fad9777b029 CH4.ezfio/ao_basis/ao_coef.gz
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4c5e21949adeb8e0993da40152a31345 CH4.ezfio/ao_basis/ao_expo.gz
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a99caf50037046b3066a12bb766aaac8 CH4.ezfio/ao_basis/ao_nucl.gz
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ea2a34d42beeb57bfa1b3f55ec5280ef CH4.ezfio/ao_basis/ao_num
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01614dab0b62760ece49266cab6e5dfc CH4.ezfio/ao_basis/ao_power.gz
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d0f42d070fbe84680523305b5199b825 CH4.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 CH4.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e CH4.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/bielec_integrals/write_mo_integrals
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d765d41448fe246fcc034b66e2768837 CH4.ezfio/electrons/elec_alpha_num
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d765d41448fe246fcc034b66e2768837 CH4.ezfio/electrons/elec_beta_num
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0ed15964c6a6b7641a89300a06c92fbb CH4.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf CH4.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb CH4.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf CH4.ezfio/hartree_fock/thresh_scf
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2644a2f438efe6cde953c658c9719e36 CH4.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 CH4.ezfio/mo_basis/mo_label
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ea2a34d42beeb57bfa1b3f55ec5280ef CH4.ezfio/mo_basis/mo_tot_num
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0559ac1366dbe927c478a6eaa882decc CH4.ezfio/nuclei/nucl_charge.gz
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af88ab9ab79e8fe7d154d80df037105d CH4.ezfio/nuclei/nucl_coord.gz
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d765d41448fe246fcc034b66e2768837 CH4.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b CH4.ezfio/output/empty
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