10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00

Fixed MRCC test

This commit is contained in:
Anthony Scemama 2016-03-30 01:21:36 +02:00
parent c504518542
commit 45b3a98e4e

View File

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