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quantum_package/data/inputs/CCl.md5

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183fac505716b4177327df7960c4c658 CCl.ezfio/ao_basis/ao_coef.gz
5462a8c5829ee6fd75ba0ac2536441e1 CCl.ezfio/ao_basis/ao_expo.gz
db09e7a409f1d004a1dcc638e93d12f6 CCl.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3684cba18cb251696e3efbe2a411ff51 CCl.ezfio/ao_basis/ao_num
808a54df34756f93d91f585b2f7c8bab CCl.ezfio/ao_basis/ao_power.gz
782f9e7346ed221a0447b998f287acd4 CCl.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CCl.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CCl.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b CCl.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 CCl.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e CCl.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b CCl.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b CCl.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
8d6827f8fa944d207bb6ef46c5619939 CCl.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 CCl.ezfio/electrons/elec_beta_num
0ed15964c6a6b7641a89300a06c92fbb CCl.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CCl.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CCl.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CCl.ezfio/hartree_fock/thresh_scf
cf925b30db2cc88c9df130e7f2d869da CCl.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CCl.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 CCl.ezfio/mo_basis/mo_tot_num
cc61dd71ed75fe930d542991b80d9310 CCl.ezfio/nuclei/nucl_charge.gz
656b85c7f3a0b94322ce2effaf210440 CCl.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
b8d55a162b3e0811e1c93a1c6f157817 CCl.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CCl.ezfio/output/empty