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quantum_package/data/inputs/PH3.md5

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daa1043af213b39637eff7ee6fb62b4b PH3.ezfio/ao_basis/ao_coef.gz
2bb1d765db7955119bcd5bc755fe90a4 PH3.ezfio/ao_basis/ao_expo.gz
8903e0419e229156df82cfd8ef6f1f4a PH3.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3684cba18cb251696e3efbe2a411ff51 PH3.ezfio/ao_basis/ao_num
cae69b1137262e3e93143e62a6bf9216 PH3.ezfio/ao_basis/ao_power.gz
e72a949eb1e4467e9a3a0053e777c829 PH3.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b PH3.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b PH3.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 PH3.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b PH3.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
6ddd54f604d3a6c6e28eebd0b6e08ddc PH3.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc PH3.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 PH3.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf PH3.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb PH3.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf PH3.ezfio/hartree_fock/thresh_scf
51c515a5a87a4a35586c26ad570b9593 PH3.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 PH3.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 PH3.ezfio/mo_basis/mo_tot_num
bd6700e4912da89d12d982ce3bf09ea7 PH3.ezfio/nuclei/nucl_charge.gz
e3cb8f269783850bed9c972cd6577e45 PH3.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
a5ae057cdae95f3930403204a9c9cbe2 PH3.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b PH3.ezfio/output/empty