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quantum_package/data/inputs/CH4+.md5

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80af7d4c93c3e2cbece451dad709ed03 CH4+.ezfio/ao_basis/ao_coef.gz
b4948a16338b223ef0b9cd0b8708222b CH4+.ezfio/ao_basis/ao_expo.gz
0ccc74e54971bdcfa9778fb9038ff01f CH4+.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
ea2a34d42beeb57bfa1b3f55ec5280ef CH4+.ezfio/ao_basis/ao_num
5543ae919a144635a828815e91d43fca CH4+.ezfio/ao_basis/ao_power.gz
8cb81eddbc4671a01dcf463691cf614b CH4+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 CH4+.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e CH4+.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 CH4+.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 CH4+.ezfio/electrons/elec_beta_num
4c7ba823d3c61eeec19012cf13f7b5bc CH4+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH4+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CH4+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CH4+.ezfio/hartree_fock/thresh_scf
783fb8031b2e0fc322cefe8cb2450ebd CH4+.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CH4+.ezfio/mo_basis/mo_label
ea2a34d42beeb57bfa1b3f55ec5280ef CH4+.ezfio/mo_basis/mo_tot_num
725e94c9c0702909bab9de7d26543de2 CH4+.ezfio/nuclei/nucl_charge.gz
798acc7947c9487512ba04aa4f66e8b9 CH4+.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 CH4+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH4+.ezfio/output/empty