10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-09 07:33:53 +01:00
quantum_package/data/inputs/H3CSH.md5

24 lines
1.5 KiB
Plaintext
Raw Normal View History

78e3d05c1846ad1422c57e2f4250f511 H3CSH.ezfio/ao_basis/ao_coef.gz
97ef9bb8ffb5ad7675127e577c4eed59 H3CSH.ezfio/ao_basis/ao_expo.gz
fad707a1c18758641d1288efeb576b24 H3CSH.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3aa966b79cdfb8aee650e009bf2d85b4 H3CSH.ezfio/ao_basis/ao_num
05284f8a0c58d0f17732a31b8deb6ebb H3CSH.ezfio/ao_basis/ao_power.gz
0182d045fd9e8010abac1d4e0e211c42 H3CSH.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b H3CSH.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b H3CSH.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 H3CSH.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b H3CSH.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
5f49c8752062f65b95efea0b53c8dcba H3CSH.ezfio/electrons/elec_alpha_num
5f49c8752062f65b95efea0b53c8dcba H3CSH.ezfio/electrons/elec_beta_num
35051c5b66035612a9c4b99d419f2810 H3CSH.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3CSH.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb H3CSH.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf H3CSH.ezfio/hartree_fock/thresh_scf
4ae1e4cf1a9fbd2471ca5b64d49b5a6f H3CSH.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 H3CSH.ezfio/mo_basis/mo_label
3aa966b79cdfb8aee650e009bf2d85b4 H3CSH.ezfio/mo_basis/mo_tot_num
bf82d7a0dc69e9935d9ee2469cab52c3 H3CSH.ezfio/nuclei/nucl_charge.gz
03ecbf86ff8acc538dfd36534f8b36d5 H3CSH.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
503018260a2f6fc8557fcf29300fa8bb H3CSH.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3CSH.ezfio/output/empty