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quantum_package/data/inputs/CS2.md5

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f16c2dad903c5198d103151d58386e55 CS2.ezfio/ao_basis/ao_coef.gz
5c325e2c0443d4965f6a8101dc303a1d CS2.ezfio/ao_basis/ao_expo.gz
375ac91e1f572dfeb174cc9b969c9f87 CS2.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
c1e625c95fbf54fb8648fe87a1d5b013 CS2.ezfio/ao_basis/ao_num
b1d818fca858665c6c6e383bcd5252b2 CS2.ezfio/ao_basis/ao_power.gz
e68b2fa239aa57b8757bdadb3c979c19 CS2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CS2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CS2.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 CS2.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b CS2.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
a62103800a061f58b2b696f7c5119e54 CS2.ezfio/electrons/elec_alpha_num
a62103800a061f58b2b696f7c5119e54 CS2.ezfio/electrons/elec_beta_num
35051c5b66035612a9c4b99d419f2810 CS2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CS2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CS2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CS2.ezfio/hartree_fock/thresh_scf
005473341edf5300fcc0ac840afdf7b1 CS2.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CS2.ezfio/mo_basis/mo_label
c1e625c95fbf54fb8648fe87a1d5b013 CS2.ezfio/mo_basis/mo_tot_num
7ba065531e18eadc701af891d57aaec4 CS2.ezfio/nuclei/nucl_charge.gz
331f380b20df30357b9ee0efa51a9fd6 CS2.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
fc7192d47339d0d2b75886b578c1b041 CS2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CS2.ezfio/output/empty