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Fixing tests

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This commit is contained in:
Anthony Scemama 2020-02-05 14:27:28 +01:00
parent 8af3e708ad
commit 5d6805f926
1 changed files with 2 additions and 2 deletions
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4
src/hartree_fock/10.hf.bats
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@ -5,7 +5,7 @@ source $QP_ROOT/quantum_package.rc
function run() {
thresh=1.e-8
thresh=1.e-7
test_exe scf || skip
qp set_file $1
qp edit --check
@ -18,7 +18,7 @@ function run() {
@test "B-B" { # 3s
run b2_stretched.ezfio -48.9950585752809
run b2_stretched.ezfio -48.9950585434279
}
@test "SiH2_3B1" { # 0.539000 1.51094s