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quantum_package/data/inputs/BeF.md5

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e41edd44a3863db45785381554a9d65e BeF.ezfio/ao_basis/ao_coef.gz
faca2f64f22d5e19ef02c583a147afe6 BeF.ezfio/ao_basis/ao_expo.gz
d599b8217868003e43c8fcc543f59760 BeF.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
c9d2e4f9d10db875d4396ee02bce67cb BeF.ezfio/ao_basis/ao_num
3106158016db152ff5fece11c1a4b362 BeF.ezfio/ao_basis/ao_power.gz
5932e3a605f87fb0ce071e827b454143 BeF.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b BeF.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b BeF.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b BeF.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 BeF.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e BeF.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b BeF.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b BeF.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
4e94260b47ac90ce146cf693b6ea796f BeF.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BeF.ezfio/electrons/elec_beta_num
4386f2ac54d6c12b5e2970c8e62fd695 BeF.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeF.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb BeF.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf BeF.ezfio/hartree_fock/thresh_scf
6a41aa8e90abf2a4e1e299bdd1900482 BeF.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 BeF.ezfio/mo_basis/mo_label
c9d2e4f9d10db875d4396ee02bce67cb BeF.ezfio/mo_basis/mo_tot_num
78b738a6482075743ef87ec478e922ad BeF.ezfio/nuclei/nucl_charge.gz
b31bf3d00d4149b34cc7ed074b8105dc BeF.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
b8d55a162b3e0811e1c93a1c6f157817 BeF.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeF.ezfio/output/empty