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quantum_package/data/inputs/PH4+.md5

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7e8fb81ec6465f26f5e8bf289fed9aaf PH4+.ezfio/ao_basis/ao_coef.gz
2b6a4ab5052473a53bf244f24a8e9b5f PH4+.ezfio/ao_basis/ao_expo.gz
d7d6e1100c7cb4c02868c45a4d35c0d7 PH4+.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
5167de7f84f7353565204fecdaae7500 PH4+.ezfio/ao_basis/ao_num
6ef1431e6f6256fe894518a5d0d28d35 PH4+.ezfio/ao_basis/ao_power.gz
4c188a8767cd8f9cb20c6016fdc41855 PH4+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b PH4+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b PH4+.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 PH4+.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b PH4+.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
6ddd54f604d3a6c6e28eebd0b6e08ddc PH4+.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc PH4+.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 PH4+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf PH4+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb PH4+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf PH4+.ezfio/hartree_fock/thresh_scf
9c66a5eb301c6c3ee87448af1e5214df PH4+.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 PH4+.ezfio/mo_basis/mo_label
5167de7f84f7353565204fecdaae7500 PH4+.ezfio/mo_basis/mo_tot_num
be3d61a6e3fc84f25f64863cb0f18bd5 PH4+.ezfio/nuclei/nucl_charge.gz
6cf7d91d918def93551089b92e607d68 PH4+.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 PH4+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b PH4+.ezfio/output/empty