small change in test-suite - cp exx

2020-11-25 01:31:58 -05:00 · 2020-11-25 01:31:58 -05:00 · a5025e96c6
parent 09b0f85f32
commit a5025e96c6
1 changed files with 3 additions and 3 deletions
--- a/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in
+++ b/test-suite/cp_h2o_exx/h2o-mt-b3lyp-1.in
@ -1,10 +1,10 @@
 &control
    title = ' Water Molecule ',
    calculation = 'cp-wf',
-    restart_mode = 'restart',
+    restart_mode = 'from_scratch',
    ndr = 51,
-    ndw = 52,
-    nstep  = 83,
+    ndw = 51,
+    nstep  = 120,
    iprint = 120,
    isave  = 120,
    tstress = .TRUE.,