Merge pull request #1239 from edoapra/nmcoef2c-error

Yet another QA update
2026-07-29 06:35:39 -04:00 · 2026-01-28 14:50:25 -08:00 · 2026-01-28 14:50:25 -08:00 · fac2625d90
commit fac2625d90
parent ddfeeee6bd 601121de40
4 changed files with 64820 additions and 498019 deletions
--- a/QA/tests/libxc_waterdimer_bmk/libxc_waterdimer_bmk.nw
+++ b/QA/tests/libxc_waterdimer_bmk/libxc_waterdimer_bmk.nw
@ -52,6 +52,4 @@ bsse
 mon first 1 2 3
 mon second 4 5 6
 end
-
-task dft optimize
-
+task dft energy
--- a/QA/tests/libxc_waterdimer_bmk/libxc_waterdimer_bmk.out
+++ b/QA/tests/libxc_waterdimer_bmk/libxc_waterdimer_bmk.out
--- a/QA/tests/prop_uhf_ch3f/prop_uhf_ch3f.nw
+++ b/QA/tests/prop_uhf_ch3f/prop_uhf_ch3f.nw
@ -20,12 +20,14 @@ property
 end

 scf
+ direct
 uhf
 end

 task scf property

 dft
+# direct
 xc b3lyp
 odft
 end
--- a/QA/tests/prop_uhf_ch3f/prop_uhf_ch3f.out
+++ b/QA/tests/prop_uhf_ch3f/prop_uhf_ch3f.out