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quantum_package/data/inputs/BeO.md5

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1.7 KiB
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db22365f7dd0f6f11a481a8addb5ee1d BeO.ezfio/ao_basis/ao_coef.gz
ba0c34c6f9697309770448fe8c1c864e BeO.ezfio/ao_basis/ao_expo.gz
09b77f90439b2880612cfd871875de26 BeO.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb BeO.ezfio/ao_basis/ao_num
8a16f07bdc1a5bc28e3f70fb41be66fe BeO.ezfio/ao_basis/ao_power.gz
dba82a40fb756f53a2d1164a97868d97 BeO.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b BeO.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b BeO.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b BeO.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 BeO.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e BeO.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b BeO.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b BeO.ezfio/bielec_integrals/write_mo_integrals
503018260a2f6fc8557fcf29300fa8bb BeO.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BeO.ezfio/electrons/elec_beta_num
4386f2ac54d6c12b5e2970c8e62fd695 BeO.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeO.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb BeO.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf BeO.ezfio/hartree_fock/thresh_scf
b0b684c3daada0aeef8ad0266240a7bb BeO.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 BeO.ezfio/mo_basis/mo_label
c9d2e4f9d10db875d4396ee02bce67cb BeO.ezfio/mo_basis/mo_tot_num
ac489b323518d3bfbb06a204bb062450 BeO.ezfio/nuclei/nucl_charge.gz
f6739c941e0c00177f8fee86d849678d BeO.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeO.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeO.ezfio/output/empty