mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
27 lines
1.7 KiB
Plaintext
27 lines
1.7 KiB
Plaintext
34a8a9d9c267ffe8079173f1163f0221 C2H2+.ezfio/ao_basis/ao_coef.gz
|
|
8eb219814257c1aeb9999bf4f6da38f9 C2H2+.ezfio/ao_basis/ao_expo.gz
|
|
b627c56b268367da3c85ca268717db35 C2H2+.ezfio/ao_basis/ao_nucl.gz
|
|
124cdb899e63978aabd1369eebce31a3 C2H2+.ezfio/ao_basis/ao_num
|
|
dbde6b8256713f0197b5cc550483ddd1 C2H2+.ezfio/ao_basis/ao_power.gz
|
|
ae598b9bf6a73d1d470bb81b4e74b458 C2H2+.ezfio/ao_basis/ao_prim_num.gz
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/bielec_integrals/direct
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/bielec_integrals/read_ao_integrals
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/bielec_integrals/read_mo_integrals
|
|
0eaedcd23870922f3fb86e923618ebe9 C2H2+.ezfio/bielec_integrals/threshold_ao
|
|
2e96b8a0018eba47f00e52bd95a7ca5e C2H2+.ezfio/bielec_integrals/threshold_mo
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/bielec_integrals/write_ao_integrals
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/bielec_integrals/write_mo_integrals
|
|
4e94260b47ac90ce146cf693b6ea796f C2H2+.ezfio/electrons/elec_alpha_num
|
|
503018260a2f6fc8557fcf29300fa8bb C2H2+.ezfio/electrons/elec_beta_num
|
|
4c7ba823d3c61eeec19012cf13f7b5bc C2H2+.ezfio/ezfio/creation
|
|
7f367b65714301b397509954da600ecf C2H2+.ezfio/ezfio/library
|
|
c9d2e4f9d10db875d4396ee02bce67cb C2H2+.ezfio/hartree_fock/n_it_scf_max
|
|
872740f77c4607493a0cf5740c3dfddf C2H2+.ezfio/hartree_fock/thresh_scf
|
|
48624207c7946873974b27ba28d2cb10 C2H2+.ezfio/mo_basis/mo_coef.gz
|
|
4b752f0c6bd89811f15963699a6323a0 C2H2+.ezfio/mo_basis/mo_label
|
|
124cdb899e63978aabd1369eebce31a3 C2H2+.ezfio/mo_basis/mo_tot_num
|
|
b15a46f5e9a240c7395db9ed29bf9671 C2H2+.ezfio/nuclei/nucl_charge.gz
|
|
214ab5e9a34ad5117143e42b47034a38 C2H2+.ezfio/nuclei/nucl_coord.gz
|
|
a5ae057cdae95f3930403204a9c9cbe2 C2H2+.ezfio/nuclei/nucl_num
|
|
9104e54c37d062209b247e0132dbb74b C2H2+.ezfio/output/empty
|