LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Fixed MRCC test

Browse Source
This commit is contained in:
Anthony Scemama 2016-03-30 01:21:36 +02:00
parent c504518542
commit 45b3a98e4e
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
tests/bats/qp.bats
View File

@ -155,7 +155,7 @@ function run_all_1h_1p() {
ezfio set determinants read_wf True
qp_run mrcc_cassd $INPUT
energy="$(ezfio get mrcc_cassd energy)"
eq $energy -0.762303253805911E+02 1.E-3
eq $energy -76.2289109271715 1.E-3
}