10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 12:56:14 +01:00
quantum_package/data/inputs/C2H3.md5

27 lines
1.7 KiB
Plaintext
Raw Normal View History

c548d0c002f79c2b965ca77418682c7b C2H3.ezfio/ao_basis/ao_coef.gz
3b95562c40436938a3da4c262284e108 C2H3.ezfio/ao_basis/ao_expo.gz
4a7a484a88ffae9635a77666fba2d6ff C2H3.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
9b35e2a02ecae92c944cd0800edcee97 C2H3.ezfio/ao_basis/ao_num
4c1e4480fdef735119235d7ccc702a6c C2H3.ezfio/ao_basis/ao_power.gz
4f7c9b41662ac11cd20b34e75489c508 C2H3.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 C2H3.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e C2H3.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
6156a0908e61aaf7a450978fcd37322d C2H3.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H3.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 C2H3.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H3.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb C2H3.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf C2H3.ezfio/hartree_fock/thresh_scf
8601f70d15eb1591fc4c76d2d288f763 C2H3.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 C2H3.ezfio/mo_basis/mo_label
9b35e2a02ecae92c944cd0800edcee97 C2H3.ezfio/mo_basis/mo_tot_num
01ef54470306d8156d9872a0dccc3772 C2H3.ezfio/nuclei/nucl_charge.gz
018edb6bc865786e7a9aab9e1f513409 C2H3.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 C2H3.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H3.ezfio/output/empty