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quantum_package/data/inputs/ClSiH3.md5

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52895e593c7b27f361bcf9546862b906 ClSiH3.ezfio/ao_basis/ao_coef.gz
f703524e3f320851639ccb14dcda6115 ClSiH3.ezfio/ao_basis/ao_expo.gz
ca8529c54dd49014f1e446fe7984e00d ClSiH3.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
c1e625c95fbf54fb8648fe87a1d5b013 ClSiH3.ezfio/ao_basis/ao_num
859e848c5c652b8d0798e75c51874bf2 ClSiH3.ezfio/ao_basis/ao_power.gz
d94483386acfa4d2cb8d1e5f90a3769b ClSiH3.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 ClSiH3.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e ClSiH3.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
3354314be84298bd0a185fee97c87c44 ClSiH3.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 ClSiH3.ezfio/electrons/elec_beta_num
795cad23d8b99374b24ab79bbbfdce5e ClSiH3.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClSiH3.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb ClSiH3.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf ClSiH3.ezfio/hartree_fock/thresh_scf
4e21e8ff6b4cc534218db6b3a7b9cb4b ClSiH3.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 ClSiH3.ezfio/mo_basis/mo_label
c1e625c95fbf54fb8648fe87a1d5b013 ClSiH3.ezfio/mo_basis/mo_tot_num
e10b974c2d0eed6fe1bc246964262180 ClSiH3.ezfio/nuclei/nucl_charge.gz
1017fcc5f7094c0547453c0f59a65816 ClSiH3.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 ClSiH3.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClSiH3.ezfio/output/empty