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quantum_package/data/inputs/NH2.md5

24 lines
1.5 KiB
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2cf6011ecc834b14a28efba03b07786d NH2.ezfio/ao_basis/ao_coef.gz
fe6909420289e99d55f6fd650901aad9 NH2.ezfio/ao_basis/ao_expo.gz
12c6dea3306a9d6ce2406e4b8ba06183 NH2.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 NH2.ezfio/ao_basis/ao_num
ad2f9dd6f6e26adbf89b4078afd43c78 NH2.ezfio/ao_basis/ao_power.gz
ee0b399cc4fed065647d49906168a056 NH2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b NH2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b NH2.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 NH2.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b NH2.ezfio/bielec_integrals/write_ao_integrals
d765d41448fe246fcc034b66e2768837 NH2.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 NH2.ezfio/electrons/elec_beta_num
ed6cba5f0f7b3dac2582bc2992ad1fce NH2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf NH2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb NH2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf NH2.ezfio/hartree_fock/thresh_scf
af0a691aab3446754ab7ccc16e7183b4 NH2.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 NH2.ezfio/mo_basis/mo_label
d1f6a39a32f2dfe572f3b9d12ec2ba48 NH2.ezfio/mo_basis/mo_tot_num
cfec9f6e86847514237b1fdef81d2ba1 NH2.ezfio/nuclei/nucl_charge.gz
062df87feaa4c1db5a306a5b5b7876fc NH2.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 NH2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b NH2.ezfio/output/empty