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https://github.com/LCPQ/quantum_package
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27 lines
1.7 KiB
Plaintext
27 lines
1.7 KiB
Plaintext
1bba8b3f93d227c66fb0e7d7764006bc BeS.ezfio/ao_basis/ao_coef.gz
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3bffcaddcf66aca17684b6a69ba47caf BeS.ezfio/ao_basis/ao_expo.gz
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ae187ca10297555492de7b61524d1fae BeS.ezfio/ao_basis/ao_nucl.gz
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3684cba18cb251696e3efbe2a411ff51 BeS.ezfio/ao_basis/ao_num
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2f2df3a11068c8ee25d0f482a8a40801 BeS.ezfio/ao_basis/ao_power.gz
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c7420fdb10cd7d955df166cf0d7994e0 BeS.ezfio/ao_basis/ao_prim_num.gz
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/bielec_integrals/direct
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/bielec_integrals/read_ao_integrals
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/bielec_integrals/read_mo_integrals
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0eaedcd23870922f3fb86e923618ebe9 BeS.ezfio/bielec_integrals/threshold_ao
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2e96b8a0018eba47f00e52bd95a7ca5e BeS.ezfio/bielec_integrals/threshold_mo
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/bielec_integrals/write_ao_integrals
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/bielec_integrals/write_mo_integrals
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b5e150f8a5f428ced2b7812819cd43b0 BeS.ezfio/electrons/elec_alpha_num
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b5e150f8a5f428ced2b7812819cd43b0 BeS.ezfio/electrons/elec_beta_num
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0ed15964c6a6b7641a89300a06c92fbb BeS.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf BeS.ezfio/ezfio/library
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c9d2e4f9d10db875d4396ee02bce67cb BeS.ezfio/hartree_fock/n_it_scf_max
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872740f77c4607493a0cf5740c3dfddf BeS.ezfio/hartree_fock/thresh_scf
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1dcf7f5e2a1c289da85e26504eef090f BeS.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 BeS.ezfio/mo_basis/mo_label
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3684cba18cb251696e3efbe2a411ff51 BeS.ezfio/mo_basis/mo_tot_num
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e0f5d0ffae7d80e6f285a7be4ea484b8 BeS.ezfio/nuclei/nucl_charge.gz
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87a9fe613eaba194b6a49c67c4c7f677 BeS.ezfio/nuclei/nucl_coord.gz
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b8d55a162b3e0811e1c93a1c6f157817 BeS.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b BeS.ezfio/output/empty
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