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quantum_package/data/inputs/O2.md5

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1e7ca42e42aba2e44a98bc3ead0092a3 O2.ezfio/ao_basis/ao_coef.gz
7ebcb727128e0093e7fc70fb0434ff63 O2.ezfio/ao_basis/ao_expo.gz
b7a6d309b3f1b9acd9e63f41c6e1a9bb O2.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
c9d2e4f9d10db875d4396ee02bce67cb O2.ezfio/ao_basis/ao_num
c67c0bde1699ee0ef330ce967ffed0a3 O2.ezfio/ao_basis/ao_power.gz
dbabdddfa0105d20cc5fc088419bd699 O2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b O2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b O2.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 O2.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b O2.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
6ddd54f604d3a6c6e28eebd0b6e08ddc O2.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f O2.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 O2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf O2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb O2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf O2.ezfio/hartree_fock/thresh_scf
c4dd36357a9957f4b3bda903517c1199 O2.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 O2.ezfio/mo_basis/mo_label
c9d2e4f9d10db875d4396ee02bce67cb O2.ezfio/mo_basis/mo_tot_num
62bcef521bcee3a6761863a09267592f O2.ezfio/nuclei/nucl_charge.gz
382696d7d03b4bc57dc497ce6d7fc38f O2.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
b8d55a162b3e0811e1c93a1c6f157817 O2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b O2.ezfio/output/empty