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https://github.com/LCPQ/quantum_package
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27 lines
1.8 KiB
Plaintext
27 lines
1.8 KiB
Plaintext
8bba361ac5be466fe6277edaefef192e CH2_1A1.ezfio/ao_basis/ao_coef.gz
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0badd50648c994eeb112acacee8a3807 CH2_1A1.ezfio/ao_basis/ao_expo.gz
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e087b550d69148485775ca48a3e49afd CH2_1A1.ezfio/ao_basis/ao_nucl.gz
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d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_1A1.ezfio/ao_basis/ao_num
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be2a6ae4c69edfb20c6cdf0e8a73f5fb CH2_1A1.ezfio/ao_basis/ao_power.gz
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e46afaaaec9e8531268b32c01c3d80ec CH2_1A1.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 CH2_1A1.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e CH2_1A1.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/bielec_integrals/write_mo_integrals
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a5ae057cdae95f3930403204a9c9cbe2 CH2_1A1.ezfio/electrons/elec_alpha_num
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a5ae057cdae95f3930403204a9c9cbe2 CH2_1A1.ezfio/electrons/elec_beta_num
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d1c6db31ca3895c3906680120e4dfb74 CH2_1A1.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf CH2_1A1.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb CH2_1A1.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf CH2_1A1.ezfio/hartree_fock/thresh_scf
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6f39f9a589c1588ecd7e195c971070ca CH2_1A1.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 CH2_1A1.ezfio/mo_basis/mo_label
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d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_1A1.ezfio/mo_basis/mo_tot_num
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32ab92f9aa5d5cef495b5dae8805565e CH2_1A1.ezfio/nuclei/nucl_charge.gz
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7ac39a57397b151851837a0c4cb9d5e2 CH2_1A1.ezfio/nuclei/nucl_coord.gz
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fc7192d47339d0d2b75886b578c1b041 CH2_1A1.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b CH2_1A1.ezfio/output/empty
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