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quantum_package/data/inputs/BH2.md5

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1.7 KiB
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be67e62c4dee56b6cad3e7adebe05a4f BH2.ezfio/ao_basis/ao_coef.gz
fdba58f5b8441674b908c344afb19987 BH2.ezfio/ao_basis/ao_expo.gz
ae76340dc6adb2bba7af8db18eff27e2 BH2.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 BH2.ezfio/ao_basis/ao_num
dc3f3774e564766dbdbbfd4f67c81e22 BH2.ezfio/ao_basis/ao_power.gz
a09e9aee28c02046cdacdabab5f6e4b1 BH2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b BH2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b BH2.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b BH2.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 BH2.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e BH2.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b BH2.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b BH2.ezfio/bielec_integrals/write_mo_integrals
a5ae057cdae95f3930403204a9c9cbe2 BH2.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 BH2.ezfio/electrons/elec_beta_num
bc8d4dabdea63ca7d5d608e0bb8f7fb3 BH2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BH2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb BH2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf BH2.ezfio/hartree_fock/thresh_scf
d51a35afb52614b3a2cb5f359a96356c BH2.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 BH2.ezfio/mo_basis/mo_label
d1f6a39a32f2dfe572f3b9d12ec2ba48 BH2.ezfio/mo_basis/mo_tot_num
56f62585c52bee19d16969ff993f7767 BH2.ezfio/nuclei/nucl_charge.gz
f848e49477c34985a8ab2e3957f33611 BH2.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 BH2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BH2.ezfio/output/empty