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Lower det num for full_ci test

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TApplencourt 2015-10-28 14:58:08 +01:00
parent 3b132a5d89
commit ebaeb669a1
1 changed files with 3 additions and 3 deletions
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6
test/bats/qp.bats
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@ -37,13 +37,13 @@ cd ${TEST_DIR}
ezfio set_file HBO.ezfio ezfio set_file HBO.ezfio
ezfio set perturbation do_pt2_end 1 ezfio set perturbation do_pt2_end 1
ezfio set determinants n_det_max 10000 ezfio set determinants n_det_max 1000
qp_run full_ci HBO.ezfio qp_run full_ci HBO.ezfio
energy="$(ezfio get full_ci energy)" energy="$(ezfio get full_ci energy)"
eq $energy -98.9661013229156 1E-6 eq $energy -98.964772590532306 1E-6
energy_pt2="$(ezfio get full_ci energy_pt2)" energy_pt2="$(ezfio get full_ci energy_pt2)"
eq $energy_pt2 -98.966293393389 1E-6 eq $energy_pt2 -98.966227811130594 1E-6
} }