2014-05-24 02:39:18 +02:00
|
|
|
4e02240931f0ec60c0e3e64cb0b9bfd1 NH3+.ezfio/ao_basis/ao_coef.gz
|
|
|
|
|
4da5aa9d0f5c158a3749eb8122afb56c NH3+.ezfio/ao_basis/ao_expo.gz
|
|
|
|
|
a574e595c61f255efa0c9467032616b5 NH3+.ezfio/ao_basis/ao_nucl.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
c9d2e4f9d10db875d4396ee02bce67cb NH3+.ezfio/ao_basis/ao_num
|
2014-05-24 02:39:18 +02:00
|
|
|
0b35faf50aac82b25c6403f88c805431 NH3+.ezfio/ao_basis/ao_power.gz
|
|
|
|
|
f7452ad9fb35b8aaa6ee16ed8c4606e3 NH3+.ezfio/ao_basis/ao_prim_num.gz
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b NH3+.ezfio/bielec_integrals/direct
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b NH3+.ezfio/bielec_integrals/read_ao_integrals
|
|
|
|
|
0eaedcd23870922f3fb86e923618ebe9 NH3+.ezfio/bielec_integrals/threshold_ao
|
|
|
|
|
9104e54c37d062209b247e0132dbb74b NH3+.ezfio/bielec_integrals/write_ao_integrals
|
2014-04-07 15:12:03 +02:00
|
|
|
d765d41448fe246fcc034b66e2768837 NH3+.ezfio/electrons/elec_alpha_num
|
|
|
|
|
a5ae057cdae95f3930403204a9c9cbe2 NH3+.ezfio/electrons/elec_beta_num
|
2014-05-24 02:39:18 +02:00
|
|
|
81cf76e642d289c65baca4364a332d08 NH3+.ezfio/ezfio/creation
|
|
|
|
|
7f367b65714301b397509954da600ecf NH3+.ezfio/ezfio/library
|
|
|
|
|
c9d2e4f9d10db875d4396ee02bce67cb NH3+.ezfio/hartree_fock/n_it_scf_max
|
|
|
|
|
872740f77c4607493a0cf5740c3dfddf NH3+.ezfio/hartree_fock/thresh_scf
|
|
|
|
|
b8b3ddbe88542417ad6e522e59fdac6f NH3+.ezfio/mo_basis/mo_coef.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
4b752f0c6bd89811f15963699a6323a0 NH3+.ezfio/mo_basis/mo_label
|
2014-05-24 02:39:18 +02:00
|
|
|
c9d2e4f9d10db875d4396ee02bce67cb NH3+.ezfio/mo_basis/mo_tot_num
|
|
|
|
|
f733332cc0ce39de6a9e75fbbfd16ffb NH3+.ezfio/nuclei/nucl_charge.gz
|
|
|
|
|
7e187f3a32fd284e23db065534aa1424 NH3+.ezfio/nuclei/nucl_coord.gz
|
2014-04-07 15:12:03 +02:00
|
|
|
a5ae057cdae95f3930403204a9c9cbe2 NH3+.ezfio/nuclei/nucl_num
|
2014-05-24 02:39:18 +02:00
|
|
|
9104e54c37d062209b247e0132dbb74b NH3+.ezfio/output/empty
|
