Start implementing 'additional exponent' for JANPA output

[molby/Molby.git] / Scripts / gamess.rb

diff --git a/Scripts/gamess.rb b/Scripts/gamess.rb
index 346f8bf..94c74fe 100755 (executable)
--- a/Scripts/gamess.rb
+++ b/Scripts/gamess.rb
@@ -1616,7 +1616,7 @@ class Molecule
         end
       end
     end
-    return call_subprocess("java -version", nil)
+    return (call_subprocess("java -version", nil) == 0)
   end
   
   def Molecule.make_java_available
@@ -1681,8 +1681,8 @@ class Molecule
     if flag
       if mol
         #  import JANPA log and molden output
-        #  Files: inppath.janpa.log, inppath.{NAO,PNAO,AHO,LHO,LPO,CLPO}.molden
-        mol.sub_load_janpa_log(inppath, spherical)
+        #  Files: inppath.janpa.log, inppath.{NAO,PNAO,AHO,LHO,LPO,CLPO,spherical}.molden
+        mol.sub_load_janpa_log(inppath)
       end
       hide_progress_panel
     else
@@ -2169,14 +2169,15 @@ class Molecule
         export_psi4(fname, hash)
       end
       if hash["execute_local"] == 1
-        @hf_type = hash["scftype"]
         if hash["run_janpa"] == 1
+          #  Check if Java is available
           if !Molecule.is_java_available()
             if !Molecule.make_java_available()
               return nil
             end
           end
         end
+        @hf_type = hash["scftype"]
         Molecule.execute_psi4(fname, self)
       end
     else