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quantum_package/data/inputs/CH2_3B1.md5

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c31381736ab3e1473c0b1d32a6fd9839 CH2_3B1.ezfio/ao_basis/ao_coef.gz
5f89a53908f014f899b44283463413cf CH2_3B1.ezfio/ao_basis/ao_expo.gz
646c228c51bcddcbb7dfd0682bed634a CH2_3B1.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_3B1.ezfio/ao_basis/ao_num
483bf8ae30c00f4e5ad7402954288ab4 CH2_3B1.ezfio/ao_basis/ao_power.gz
eed903bdc469cb4bf532c67ff5b99545 CH2_3B1.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 CH2_3B1.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e CH2_3B1.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
d765d41448fe246fcc034b66e2768837 CH2_3B1.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 CH2_3B1.ezfio/electrons/elec_beta_num
bc8d4dabdea63ca7d5d608e0bb8f7fb3 CH2_3B1.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH2_3B1.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb CH2_3B1.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf CH2_3B1.ezfio/hartree_fock/thresh_scf
5706dce6885f718c8682ad8739401d57 CH2_3B1.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 CH2_3B1.ezfio/mo_basis/mo_label
d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_3B1.ezfio/mo_basis/mo_tot_num
b831c763f70fa42cf0e262c0e40b551e CH2_3B1.ezfio/nuclei/nucl_charge.gz
4b64432ff807b76d1021df62fcb77831 CH2_3B1.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
fc7192d47339d0d2b75886b578c1b041 CH2_3B1.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH2_3B1.ezfio/output/empty