output and input file refresh. related to https://github.com/nwchemgit/nwchem/issues/109

2026-07-29 06:35:39 -04:00 · 2019-04-09 18:37:55 -07:00 · 2019-04-09 18:37:55 -07:00 · fcb1e08815
commit fcb1e08815
parent a95b65356a
2 changed files with 68281 additions and 31400 deletions
--- a/QA/tests/metagga_li4h4_1_m08hx_0/metagga_li4h4_1_m08hx_0.nw
+++ b/QA/tests/metagga_li4h4_1_m08hx_0/metagga_li4h4_1_m08hx_0.nw
@ -20,6 +20,8 @@ dft
  direct
  odft
  mult 2
+  grid fine
+  convergence energy 1d-9
  xc xm08-hx
  maxiter 100
 end
--- a/QA/tests/metagga_li4h4_1_m08hx_0/metagga_li4h4_1_m08hx_0.out
+++ b/QA/tests/metagga_li4h4_1_m08hx_0/metagga_li4h4_1_m08hx_0.out