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

24 lines
1.5 KiB
Plaintext

b7a10829ac98002efd16eecf00ec9a8f Mg+.ezfio/ao_basis/ao_coef.gz
aefe0c3eaff53eea9704856a30298866 Mg+.ezfio/ao_basis/ao_expo.gz
b2b7acc292e1a19df00c13ca7b423ba3 Mg+.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Mg+.ezfio/ao_basis/ao_num
868cc17c637c0d8688d171dc81c0ba25 Mg+.ezfio/ao_basis/ao_power.gz
3d506688393ee9663f164796ac0ccffe Mg+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b Mg+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b Mg+.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 Mg+.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b Mg+.ezfio/bielec_integrals/write_ao_integrals
503018260a2f6fc8557fcf29300fa8bb Mg+.ezfio/electrons/elec_alpha_num
d765d41448fe246fcc034b66e2768837 Mg+.ezfio/electrons/elec_beta_num
f33138f33a3baac41e36a2a9cfd25932 Mg+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Mg+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb Mg+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf Mg+.ezfio/hartree_fock/thresh_scf
4eb219cb55a89cdf2d0a21733e46db6c Mg+.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 Mg+.ezfio/mo_basis/mo_label
a62103800a061f58b2b696f7c5119e54 Mg+.ezfio/mo_basis/mo_tot_num
9788dc790cb13534c36a36e94b5b9bc4 Mg+.ezfio/nuclei/nucl_charge.gz
d41897086203f313db92728f05b4612b Mg+.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Mg+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Mg+.ezfio/output/empty