2014-05-24 02:39:18 +02:00
|
|
|
8c785188b7f010ebdf5b21cef4a3c372 BCl.ezfio/ao_basis/ao_coef.gz
|
|
|
|
|
a5b828df87ed87384c1b9e80ee8ca1d1 BCl.ezfio/ao_basis/ao_expo.gz
|
|
|
|
|
47e15f0a8c703468748999e219aeb534 BCl.ezfio/ao_basis/ao_nucl.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
3684cba18cb251696e3efbe2a411ff51 BCl.ezfio/ao_basis/ao_num
|
2014-05-24 02:39:18 +02:00
|
|
|
a3c84b8d6cc2ea8d6b6ccc8d776c724b BCl.ezfio/ao_basis/ao_power.gz
|
|
|
|
|
458c43dc90f029e937eef50ded6fc86c BCl.ezfio/ao_basis/ao_prim_num.gz
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/bielec_integrals/direct
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/bielec_integrals/read_ao_integrals
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/bielec_integrals/read_mo_integrals
|
|
|
|
|
0eaedcd23870922f3fb86e923618ebe9 BCl.ezfio/bielec_integrals/threshold_ao
|
|
|
|
|
2e96b8a0018eba47f00e52bd95a7ca5e BCl.ezfio/bielec_integrals/threshold_mo
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/bielec_integrals/write_ao_integrals
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/bielec_integrals/write_mo_integrals
|
2014-04-07 15:12:03 +02:00
|
|
|
86a89aacd3c5e8bdec809a62620500e9 BCl.ezfio/electrons/elec_alpha_num
|
|
|
|
|
86a89aacd3c5e8bdec809a62620500e9 BCl.ezfio/electrons/elec_beta_num
|
2014-05-24 02:39:18 +02:00
|
|
|
0ed15964c6a6b7641a89300a06c92fbb BCl.ezfio/ezfio/creation
|
|
|
|
|
7f367b65714301b397509954da600ecf BCl.ezfio/ezfio/library
|
|
|
|
|
c9d2e4f9d10db875d4396ee02bce67cb BCl.ezfio/hartree_fock/n_it_scf_max
|
|
|
|
|
872740f77c4607493a0cf5740c3dfddf BCl.ezfio/hartree_fock/thresh_scf
|
|
|
|
|
c22c0a3fc73e04d7dc9882342998e66a BCl.ezfio/mo_basis/mo_coef.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
4b752f0c6bd89811f15963699a6323a0 BCl.ezfio/mo_basis/mo_label
|
2014-05-24 02:39:18 +02:00
|
|
|
3684cba18cb251696e3efbe2a411ff51 BCl.ezfio/mo_basis/mo_tot_num
|
|
|
|
|
1973d5b3e94454f19aec533a1007771d BCl.ezfio/nuclei/nucl_charge.gz
|
|
|
|
|
1fdefc8aee278f8618f23bfa7fbb20be BCl.ezfio/nuclei/nucl_coord.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
b8d55a162b3e0811e1c93a1c6f157817 BCl.ezfio/nuclei/nucl_num
|
2014-05-24 02:39:18 +02:00
|
|
|
9104e54c37d062209b247e0132dbb74b BCl.ezfio/output/empty
|
