mirror of
https://github.com/LCPQ/quantum_package
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27 lines
1.7 KiB
Plaintext
27 lines
1.7 KiB
Plaintext
3402b547bd6961e65eff99130d9729cc Al.ezfio/ao_basis/ao_coef.gz
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879746839eb9f93e1b48ae72210fdfa8 Al.ezfio/ao_basis/ao_expo.gz
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c7efc1b5388c537a94e2619e1b7f65f9 Al.ezfio/ao_basis/ao_nucl.gz
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a62103800a061f58b2b696f7c5119e54 Al.ezfio/ao_basis/ao_num
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189d4dd95a2035585e0e533a1b0563e0 Al.ezfio/ao_basis/ao_power.gz
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c84e72c953f1ed5ba777c72c1df6c6ca Al.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b Al.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b Al.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b Al.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 Al.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e Al.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b Al.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b Al.ezfio/bielec_integrals/write_mo_integrals
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4e94260b47ac90ce146cf693b6ea796f Al.ezfio/electrons/elec_alpha_num
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503018260a2f6fc8557fcf29300fa8bb Al.ezfio/electrons/elec_beta_num
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e8b22dccc43ac80c0f102e87b9182021 Al.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf Al.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb Al.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf Al.ezfio/hartree_fock/thresh_scf
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4894847e1f524d63bd336b5b41b47e2e Al.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 Al.ezfio/mo_basis/mo_label
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a62103800a061f58b2b696f7c5119e54 Al.ezfio/mo_basis/mo_tot_num
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e7e3974f76889ed8686593adb43a7e3d Al.ezfio/nuclei/nucl_charge.gz
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09ed8e067c5f3f5bcb4a4c9f17a03858 Al.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 Al.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b Al.ezfio/output/empty
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