comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-29 06:35:39 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

added x2c tests

Browse source
This commit is contained in:
edoapra 2022-04-13 18:57:52 -07:00
parent bfb96db884
commit cbfa1c62dc
No known key found for this signature in database
GPG key ID: 48E12DA1EDE9E1B0
1 changed files with 2 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

3
QA/doqmtests.mpi
View file

@ -328,7 +328,8 @@ np_small=$(get_limit $np 16)
# GW
./runtests.mpi.unix procs $np gw_closedshell
./runtests.mpi.unix procs $np gw_openshell
#
# x2c
./runtests.mpi.unix procs $np x2c-h2se
#--- if we only want quick tests get out now!
if [[ "$what" == "fast" ]]; then
exit