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quantum_package/data/inputs/LiOH.md5

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194605ebbbee01b9a61b8ae970235302 LiOH.ezfio/ao_basis/ao_coef.gz
d28ffc3306ada9efd489b4cf74bc9797 LiOH.ezfio/ao_basis/ao_expo.gz
3898f79b14b30190aca3544c5f00b463 LiOH.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
ea2a34d42beeb57bfa1b3f55ec5280ef LiOH.ezfio/ao_basis/ao_num
957382f29872a6cad2c422baf29c24df LiOH.ezfio/ao_basis/ao_power.gz
46f107942feb66ae7dc37f87b4ba9343 LiOH.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b LiOH.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b LiOH.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 LiOH.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b LiOH.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
503018260a2f6fc8557fcf29300fa8bb LiOH.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb LiOH.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 LiOH.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf LiOH.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb LiOH.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf LiOH.ezfio/hartree_fock/thresh_scf
f2a6bf311b17b3f81d592cbd51ace478 LiOH.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 LiOH.ezfio/mo_basis/mo_label
ea2a34d42beeb57bfa1b3f55ec5280ef LiOH.ezfio/mo_basis/mo_tot_num
f9ba1cde334a2de08fe79adb97134166 LiOH.ezfio/nuclei/nucl_charge.gz
d627a5921db58a9a03e62835d725ad19 LiOH.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
fc7192d47339d0d2b75886b578c1b041 LiOH.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b LiOH.ezfio/output/empty