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Fixing tests

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This commit is contained in:
Anthony Scemama 2020-02-05 13:11:04 +01:00
parent a812993d8c
commit 8af3e708ad
2 changed files with 4 additions and 4 deletions
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2
src/hartree_fock/10.hf.bats
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@ -22,7 +22,7 @@ function run() {
}
@test "SiH2_3B1" { # 0.539000 1.51094s
run sih2_3b1.ezfio -289.9654718650881
run sih2_3b1.ezfio -289.9654718453571
}
@test "SO" { # 0.539000 5.70403s

6
src/kohn_sham_rs/61.rsks.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
functional=$2
qp set_file $1
qp edit --check
@ -22,7 +22,7 @@ function run() {
}
@test "H3COH" {
run h3coh.ezfio sr_pbe -115.50238225208
run h3coh.ezfio sr_pbe -115.502382305049
}
@test "HCN" {
@ -34,7 +34,7 @@ function run() {
}
@test "SiH2_3B1" {
run sih2_3b1.ezfio sr_lda -289.4398733527755
run sih2_3b1.ezfio sr_lda -289.439873304975
}