Improve JANPA integration: show orbital descriptions etc.

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

diff --git a/Scripts/commands.rb b/Scripts/commands.rb
index 8ce11cd..86b399e 100755 (executable)
--- a/Scripts/commands.rb
+++ b/Scripts/commands.rb
@@ -395,14 +395,16 @@ class Molecule
                          name2 = "Pre-orthogonal Natural Hybrid Orbitals"
                        elsif key2 == "PNBO"
                          name2 = "Pre-orthogonal Natural Bond Orbitals"
-      elsif key2 == "AHO"
-        name2 = "Atomic Hybrid Orbitals"
-      elsif key2 == "LHO"
-        name2 = "Localized Hybrid Orbitals"
-      elsif key2 == "LPO"
-        name2 = "Localized Property-optimized Orbitals"
-      elsif key2 == "CLPO"
-        name2 = "Chemist's Localized Property-optimized Orbitals"
+            elsif key2 == "AHO"
+              name2 = "Atomic Hybrid Orbitals"
+            elsif key2 == "LHO"
+              name2 = "Lewis Hybrid Orbitals"
+            elsif key2 == "PLHO"
+              name2 = "Pre-orthogonal Lewis Hybrid Orbitals"
+            elsif key2 == "LPO"
+              name2 = "Localized Property-optimized Orbitals"
+            elsif key2 == "CLPO"
+              name2 = "Chemist's Localized Property-optimized Orbitals"
                        end
                        mo_ao_items.push(name2)
                        mo_ao_keys.push(key2)