quantum_package/data/inputs/BeH.md5

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1.7 KiB
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284ec8148c04d518eef14c3a7d4becab BeH.ezfio/ao_basis/ao_coef.gz
c29f637847bfb77e1b5521e80751e309 BeH.ezfio/ao_basis/ao_expo.gz
bb4f347111a2280a6cbbe6d44e650e13 BeH.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e BeH.ezfio/ao_basis/ao_num
b836edfe10b4fe7fd3c82fa6e1b2c1b1 BeH.ezfio/ao_basis/ao_power.gz
4719d0f6677cef94086ef29d2314f7c7 BeH.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b BeH.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b BeH.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b BeH.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 BeH.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e BeH.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b BeH.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b BeH.ezfio/bielec_integrals/write_mo_integrals
fc7192d47339d0d2b75886b578c1b041 BeH.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 BeH.ezfio/electrons/elec_beta_num
e8b22dccc43ac80c0f102e87b9182021 BeH.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeH.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb BeH.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf BeH.ezfio/hartree_fock/thresh_scf
67b54f9748e60292e06285effcc9afa5 BeH.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 BeH.ezfio/mo_basis/mo_label
1d3287b26b02daefbb941c9d6940348e BeH.ezfio/mo_basis/mo_tot_num
6f81272230914205e8d357bb40b1d333 BeH.ezfio/nuclei/nucl_charge.gz
c95ab98790ee8875156f00cd2a6c7b88 BeH.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeH.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeH.ezfio/output/empty