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quantum_package/data/inputs/PH3+.md5

24 lines
1.5 KiB
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3e1d0a6662663d5c58356af112ea17d3 PH3+.ezfio/ao_basis/ao_coef.gz
8cbdcc2775a953342e8a94dcc3ddfce2 PH3+.ezfio/ao_basis/ao_expo.gz
58a749b3e376076a722b22a482dfbcb8 PH3+.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 PH3+.ezfio/ao_basis/ao_num
77ac95e89426b3afa4c2e8d55d1d584b PH3+.ezfio/ao_basis/ao_power.gz
fcd76d71681232e196803168e34898a1 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
6ddd54f604d3a6c6e28eebd0b6e08ddc PH3+.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d 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
559553e6d30b09729899048e872af668 PH3+.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 PH3+.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 PH3+.ezfio/mo_basis/mo_tot_num
57198690b792a98ed14ebe3f65f1b836 PH3+.ezfio/nuclei/nucl_charge.gz
4c3933f03aa88d8e459494bea73cc8f6 PH3+.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 PH3+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b PH3+.ezfio/output/empty