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quantum_package/data/inputs/CSi.md5

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ecd30a325ccca1b86068fdf960c8f9e0 CSi.ezfio/ao_basis/ao_coef.gz
98eea10b0ffc9e8297d4c174a3faa7cf CSi.ezfio/ao_basis/ao_expo.gz
a92af1f994ca3d298922c4041771c886 CSi.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3684cba18cb251696e3efbe2a411ff51 CSi.ezfio/ao_basis/ao_num
65c50870f944742b96140e59851305b6 CSi.ezfio/ao_basis/ao_power.gz
00f0a7cb30f1a30e8780329480bc2c98 CSi.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CSi.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CSi.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 CSi.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b CSi.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
86a89aacd3c5e8bdec809a62620500e9 CSi.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc CSi.ezfio/electrons/elec_beta_num
ed6cba5f0f7b3dac2582bc2992ad1fce CSi.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CSi.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CSi.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CSi.ezfio/hartree_fock/thresh_scf
a1f28e04608298e2897489e8f22be17a CSi.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CSi.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 CSi.ezfio/mo_basis/mo_tot_num
a43bf73edc0d3f4924204f415e4cc205 CSi.ezfio/nuclei/nucl_charge.gz
ce31012231bbc10f0b3bb6eb7a06f6b2 CSi.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
b8d55a162b3e0811e1c93a1c6f157817 CSi.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CSi.ezfio/output/empty