Update default orca template for opt

ybyygu · Sep 25, 2023 · 43fe748 · 43fe748
1 parent dc8f145
commit 43fe748
Showing 1 changed file with 5 additions and 1 deletion.
diff --git a/tests/files/orca-templates/opt.jinja b/tests/files/orca-templates/opt.jinja
@@ -7,9 +7,13 @@
 ! AUTOSTART
 
 # for nodes in queue "dft"
-%pal nprocs 36 end
+%pal nprocs 72 end
 %maxcore 5000
 
+#!moread
+#%moinp "old.gbw"
+
+
 # for resolving scf convergence problems
 ! KDIIS SOSCF
 #! SlowConv