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Fixing tests

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This commit is contained in:
Anthony Scemama 2019-01-05 03:10:00 +01:00
parent beddd31c60
commit cbf86db3d0
2 changed files with 3 additions and 3 deletions
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2
src/cis/20.cis.bats
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@ -63,7 +63,7 @@ function run() {
}
@test "SO" {
run so.ezfio -25.7502241401925 -25.5862791897799 -25.5829342971276
run so.ezfio -25.7502263243068 -25.5862810638724 -25.5829361589673
}
@test "CH4" {

4
src/cisd/30.cisd.bats
View File

@ -3,7 +3,7 @@
source $QP_ROOT/tests/bats/common.bats.sh
function run() {
thresh=1.e-6
thresh=1.e-5
test_exe cisd || skip
qp_edit -c $1
ezfio set_file $1
@ -29,7 +29,7 @@ function run() {
@test "[Cu(NH3)4]2+" {
qp_set_mo_class cu_nh3_4_2plus.ezfio -core "[1-24]" -act "[25-45]" -del "[46-87]"
run cu_nh3_4_2plus.ezfio -1862.98686836443 -1862.68820041268
run cu_nh3_4_2plus.ezfio -1862.9868140855440 -1862.9868140855440
}
@test "C2H2" {