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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
cf9e825906dfbeeff0b042198e020cf6 C2H3+.ezfio/ao_basis/ao_coef.gz
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549ed612d6d5c70fd3647e510c15b30c C2H3+.ezfio/ao_basis/ao_expo.gz
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36c54f1d574302b91c1e3abe7aa0f03a C2H3+.ezfio/ao_basis/ao_nucl.gz
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9b35e2a02ecae92c944cd0800edcee97 C2H3+.ezfio/ao_basis/ao_num
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1319f73eb74d7e3f99aafc3a5563051a C2H3+.ezfio/ao_basis/ao_power.gz
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86ce2c4e2652ee33b9ea544201baddc5 C2H3+.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 C2H3+.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e C2H3+.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/bielec_integrals/write_mo_integrals
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4e94260b47ac90ce146cf693b6ea796f C2H3+.ezfio/electrons/elec_alpha_num
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4e94260b47ac90ce146cf693b6ea796f C2H3+.ezfio/electrons/elec_beta_num
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ed6cba5f0f7b3dac2582bc2992ad1fce C2H3+.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf C2H3+.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb C2H3+.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf C2H3+.ezfio/hartree_fock/thresh_scf
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969a805306d0c8d18467423609bcfa8b C2H3+.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 C2H3+.ezfio/mo_basis/mo_label
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9b35e2a02ecae92c944cd0800edcee97 C2H3+.ezfio/mo_basis/mo_tot_num
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5417415a8c1dc39441125b5c06cca69a C2H3+.ezfio/nuclei/nucl_charge.gz
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3eabafade3f5792c6f32a2571711a075 C2H3+.ezfio/nuclei/nucl_coord.gz
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d765d41448fe246fcc034b66e2768837 C2H3+.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b C2H3+.ezfio/output/empty
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