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This commit is contained in:
Anthony Scemama 2017-06-16 18:28:05 +02:00
parent 19fa7dc257
commit 1d1d680bdd
1 changed files with 1 additions and 1 deletions
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2
tests/bats/pseudo.bats
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@ -14,7 +14,7 @@ function run_HF() {
test_exe SCF || skip
qp_edit -c $1
ezfio set_file $1
ezfio set hartree_fock thresh_scf 1.e-11
ezfio set hartree_fock thresh_scf 1.e-8
qp_run SCF $1
energy="$(ezfio get hartree_fock energy)"
eq $energy $2 $thresh