On creating PM3 input for GAMESS, NGAUSS=3 is also specified

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@355 a2be9bc6-48de-4e38-9406-05402d4bc13c

diff --git a/Scripts/gamess.rb b/Scripts/gamess.rb
index 6f6c32e..fce71cb 100755 (executable)
--- a/Scripts/gamess.rb
+++ b/Scripts/gamess.rb
@@ -137,7 +137,7 @@ class Molecule
        if !use_2nd
          case bssname
          when "PM3"
-               gbasis = "PM3"
+               gbasis = "PM3 NGAUSS=3"
          when "STO3G"
                gbasis = "STO NGAUSS=3"
          when "321G"