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Try to fix travis NaN

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Anthony Scemama 2020-08-28 23:57:11 +02:00
parent cf2d78fced
commit 3ec31857f9
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src/hartree_fock/10.hf.bats
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@ -11,6 +11,7 @@ function run() {
qp edit --check qp edit --check
qp reset --mos qp reset --mos
qp set scf_utils n_it_scf_max 50 qp set scf_utils n_it_scf_max 50
qp set ao_one_e_ints lin_dep_cutoff 1.e-50
qp run scf qp run scf
# qp set_frozen_core # qp set_frozen_core
energy="$(ezfio get hartree_fock energy)" energy="$(ezfio get hartree_fock energy)"