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quantum_package/data/inputs/C2H2.md5

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5ddcde0d3775020c8c2175fcbd94f613 C2H2.ezfio/ao_basis/ao_coef.gz
ebeea8e6afbe87d3bb078600f9cd7edf C2H2.ezfio/ao_basis/ao_expo.gz
ca536ffa06071a2c08cd29a80e4e6e24 C2H2.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
124cdb899e63978aabd1369eebce31a3 C2H2.ezfio/ao_basis/ao_num
a87de564f53e59c594151fceac3b1712 C2H2.ezfio/ao_basis/ao_power.gz
a29e7e660a08273b72a55e86c4d3dc06 C2H2.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/bielec_integrals/read_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/bielec_integrals/read_mo_integrals
0eaedcd23870922f3fb86e923618ebe9 C2H2.ezfio/bielec_integrals/threshold_ao
2e96b8a0018eba47f00e52bd95a7ca5e C2H2.ezfio/bielec_integrals/threshold_mo
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/bielec_integrals/write_ao_integrals
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/bielec_integrals/write_mo_integrals
2014-04-07 15:12:03 +02:00
4e94260b47ac90ce146cf693b6ea796f C2H2.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H2.ezfio/electrons/elec_beta_num
0ed15964c6a6b7641a89300a06c92fbb C2H2.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H2.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb C2H2.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf C2H2.ezfio/hartree_fock/thresh_scf
af430f1e6eeb2379029f5863163f33e2 C2H2.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 C2H2.ezfio/mo_basis/mo_label
124cdb899e63978aabd1369eebce31a3 C2H2.ezfio/mo_basis/mo_tot_num
c2cdc2aa85cc512bb7b145fc6637e746 C2H2.ezfio/nuclei/nucl_charge.gz
2faa862b04c435ce6336a9d3d9118ecb C2H2.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
a5ae057cdae95f3930403204a9c9cbe2 C2H2.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H2.ezfio/output/empty