10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 12:56:14 +01:00
quantum_package/data/inputs/C2H4+.md5

27 lines
1.7 KiB
Plaintext

7f0e5d1d90c3e364437c8ccca1aab2b5 C2H4+.ezfio/ao_basis/ao_coef.gz
46cb976b7d1abc16a72068c9d4ad31ab C2H4+.ezfio/ao_basis/ao_expo.gz
f0c4b1c3b1397429d84328392feff9de C2H4+.ezfio/ao_basis/ao_nucl.gz
f5e60ae18b7c53706d84e2d455c3d355 C2H4+.ezfio/ao_basis/ao_num
d05eb8f1a622a793c8e53a1a1be73f49 C2H4+.ezfio/ao_basis/ao_power.gz
9f8a5011bbba1a413787ddf8403b7c57 C2H4+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 C2H4+.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e C2H4+.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/bielec_integrals/write_mo_integrals
6156a0908e61aaf7a450978fcd37322d C2H4+.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H4+.ezfio/electrons/elec_beta_num
fe9d6554292588b373eec94d01dea0b2 C2H4+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H4+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb C2H4+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf C2H4+.ezfio/hartree_fock/thresh_scf
08a8f2a6c84bf9132f9b2ae78ae8fc3d C2H4+.ezfio/mo_basis/mo_coef.gz
4b752f0c6bd89811f15963699a6323a0 C2H4+.ezfio/mo_basis/mo_label
f5e60ae18b7c53706d84e2d455c3d355 C2H4+.ezfio/mo_basis/mo_tot_num
5aacf0ed082770b5cd408925137d2e08 C2H4+.ezfio/nuclei/nucl_charge.gz
e1c03fd1b0932b4e93ca393aee8264fa C2H4+.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb C2H4+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H4+.ezfio/output/empty