imom input option

nwchemgit · Aug 13, 2024 · 83bdd9b · 83bdd9b
1 parent 9e53663
commit 83bdd9b
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diff --git a/QA/tests/dft_boron_imom/dft_boron_imom.nw b/QA/tests/dft_boron_imom/dft_boron_imom.nw
@@ -20,20 +20,19 @@ end
 task dft 
 
 dft
- max_ovl
+ imom
  mult 2
  xc hfexch
  vectors input boron_ground.mos swap alpha 8 3 output boron_imom.mos
  convergence lshift 0.  density 1d-9
 end
 
-set dft:imom t
 task dft 
 
 
 dft
  vectors input boron_ground.mos swap alpha 8 3 output boron_mom.mos
+ max_ovl
 end
 
-set dft:imom f
-task dft 
+task dft