2014-05-24 02:39:18 +02:00
|
|
|
a00577ae3e58c7fa0416faea2d02c324 H3CCl.ezfio/ao_basis/ao_coef.gz
|
|
|
|
|
412ca4c5ccedd5a8f7127367da8446d0 H3CCl.ezfio/ao_basis/ao_expo.gz
|
|
|
|
|
b39bb8c5dc6bcb78dc326116f0016d04 H3CCl.ezfio/ao_basis/ao_nucl.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
05c099f9ecff73ec414553f6a8dba5d5 H3CCl.ezfio/ao_basis/ao_num
|
2014-05-24 02:39:18 +02:00
|
|
|
ccd9e4058266b218da85d52bd0f4dbf9 H3CCl.ezfio/ao_basis/ao_power.gz
|
|
|
|
|
de48ee40fc58f56ed9ac1343bba9ae28 H3CCl.ezfio/ao_basis/ao_prim_num.gz
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b H3CCl.ezfio/bielec_integrals/direct
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b H3CCl.ezfio/bielec_integrals/read_ao_integrals
|
|
|
|
|
0eaedcd23870922f3fb86e923618ebe9 H3CCl.ezfio/bielec_integrals/threshold_ao
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b H3CCl.ezfio/bielec_integrals/write_ao_integrals
|
2014-04-07 15:12:03 +02:00
|
|
|
5f49c8752062f65b95efea0b53c8dcba H3CCl.ezfio/electrons/elec_alpha_num
|
|
|
|
|
5f49c8752062f65b95efea0b53c8dcba H3CCl.ezfio/electrons/elec_beta_num
|
2014-05-24 02:39:18 +02:00
|
|
|
fe9d6554292588b373eec94d01dea0b2 H3CCl.ezfio/ezfio/creation
|
|
|
|
|
7f367b65714301b397509954da600ecf H3CCl.ezfio/ezfio/library
|
|
|
|
|
c9d2e4f9d10db875d4396ee02bce67cb H3CCl.ezfio/hartree_fock/n_it_scf_max
|
|
|
|
|
872740f77c4607493a0cf5740c3dfddf H3CCl.ezfio/hartree_fock/thresh_scf
|
|
|
|
|
7b5fdd0faf36bb6640745ff17ab3a5cb H3CCl.ezfio/mo_basis/mo_coef.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
4b752f0c6bd89811f15963699a6323a0 H3CCl.ezfio/mo_basis/mo_label
|
2014-05-24 02:39:18 +02:00
|
|
|
05c099f9ecff73ec414553f6a8dba5d5 H3CCl.ezfio/mo_basis/mo_tot_num
|
|
|
|
|
84a46e955dbf0bad92dbd5df96b67cbe H3CCl.ezfio/nuclei/nucl_charge.gz
|
|
|
|
|
45538a2fd7e9b7c2d2919ec75d09e585 H3CCl.ezfio/nuclei/nucl_coord.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
d765d41448fe246fcc034b66e2768837 H3CCl.ezfio/nuclei/nucl_num
|
2014-05-24 02:39:18 +02:00
|
|
|
9104e54c37d062209b247e0132dbb74b H3CCl.ezfio/output/empty
|
