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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
ce13a2a6ac4486714c970b54b6d97079 CH3.ezfio/ao_basis/ao_coef.gz
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8bc3318c78a9af3036c003fe1bebfef0 CH3.ezfio/ao_basis/ao_expo.gz
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7028c44223abf183eb0c567c7d9985ce CH3.ezfio/ao_basis/ao_nucl.gz
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c9d2e4f9d10db875d4396ee02bce67cb CH3.ezfio/ao_basis/ao_num
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2770629edfbb0d5c06f1e800d1db93ce CH3.ezfio/ao_basis/ao_power.gz
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9c1cba6d9221b7419cf3d64c12b54316 CH3.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 CH3.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e CH3.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/bielec_integrals/write_mo_integrals
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d765d41448fe246fcc034b66e2768837 CH3.ezfio/electrons/elec_alpha_num
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a5ae057cdae95f3930403204a9c9cbe2 CH3.ezfio/electrons/elec_beta_num
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d1c6db31ca3895c3906680120e4dfb74 CH3.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf CH3.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb CH3.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf CH3.ezfio/hartree_fock/thresh_scf
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0124eeb6821220b658e585e6f3cc7bbc CH3.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 CH3.ezfio/mo_basis/mo_label
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c9d2e4f9d10db875d4396ee02bce67cb CH3.ezfio/mo_basis/mo_tot_num
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7110bfbb29f69d44a827dafc60eb2964 CH3.ezfio/nuclei/nucl_charge.gz
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4d603fcf2e0eaab31ad97ac4d4a71938 CH3.ezfio/nuclei/nucl_coord.gz
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a5ae057cdae95f3930403204a9c9cbe2 CH3.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b CH3.ezfio/output/empty
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