diff --git a/src/kohn_sham_rs/61.rsks.bats b/src/kohn_sham_rs/61.rsks.bats index 82a12444..8302c7ac 100644 --- a/src/kohn_sham_rs/61.rsks.bats +++ b/src/kohn_sham_rs/61.rsks.bats @@ -7,7 +7,6 @@ function run() { thresh=1.e-8 qp_edit -c $1 ezfio set_file $1 - rm -rf $1/mo_basis ezfio set scf_utils thresh_scf 1.e-10 ezfio set dft_keywords exchange_functional "short_range_PBE" ezfio set dft_keywords correlation_functional "short_range_PBE" @@ -19,20 +18,21 @@ function run() { } -@test "HCN" { - run hcn.ezfio -93.26674673761752 -} - - -@test "H3COH" { +@test "H3COH" { # 11.4566s run h3coh.ezfio -115.50238225208 } -@test "N2" { +@test "N2" { # 18.2364s run n2.ezfio -109.404692225719 } -@test "SiH2_3B1" { - run sih2_3b1.ezfio -290.371745382958 +@test "HCN" { # 28.801s + run hcn.ezfio -93.26674673761752 } +@test "SiH2_3B1" { # 82.3904s + [[ -n $TRAVIS ]] && skip + run sih2_3b1.ezfio -290.372258160809 +} + +