Merge pull request #1039 from edoapra/compilers-august-2024

update for basis tag handling
nwchemgit · Nov 8, 2024 · 9efeb92 · 9efeb92
2 parents 6c12003 + 54b7462
commit 9efeb92
Show file tree

Hide file tree

Showing 9 changed files with 1,797 additions and 43,082 deletions.
diff --git a/QA/tests/et_zn_dimer/et_zn_dimer.nw b/QA/tests/et_zn_dimer/et_zn_dimer.nw
@@ -44,8 +44,7 @@ geometry zn_r5
 end
 
 basis "ao basis" spherical
- Zn1   library "ahlrichs vdz"
- Zn2   library "ahlrichs vdz"
+ zn   library "ahlrichs vdz"
 end
 
 charge 0

diff --git a/QA/tests/et_zn_dimer/et_zn_dimer.out b/QA/tests/et_zn_dimer/et_zn_dimer.out
diff --git a/QA/tests/tddftvem_ch4_opt/tddftvem_ch4_opt.nw b/QA/tests/tddftvem_ch4_opt/tddftvem_ch4_opt.nw