Gaussian-03/09: same functional-list defects as Gaussian-16

The defects fixed in 08c296f for Gaussian-16 were copy-pasted into the
03 and 09 dialogs too, so both had a garbage entry in the functional
dropdown and three or five functionals that silently generated nothing.

Both had the same missing commas on the last two entries, so Python
implicitly concatenated them and the dropdown really offered
"N12SX (range)MN12SX (range)" while both real functionals were
unselectable. Both had the same three string mismatches against their
own generator: "MO6HF (hybrid)" (letter O for zero),
"MPW1PBE (hybrid" (missing paren) and "MPW3PBE (hybrid)" (generator
wants MPw3PBE). ged03theory.py additionally offered "BP86 (hybrid)" and
"M06L (nonlocal)" where ai.gauss03 expects "BP86 (GGA)" and
"M06L (meta-GGA)" -- so two of the most ordinary functionals available
generated nothing at all for a Gaussian 03 calculation.

All three Gaussian dialogs now agree exactly with their generators: 0
offered-but-unmapped and 0 concatenated entries across ged03 (61
entries), ged09 (64) and ged16 (74).

xcFuncDefault is an index into these lists and this change deletes two
broken entries as well as appending, so the defaults were checked
against the previous revision rather than assumed: ged03 index 0/17 and
ged09/ged16 index 3/17 all resolve to the same functional as before.

No g03 or g09 binary is installed here, so these are verified as
internal consistency -- the dialog now emits strings its own generator
maps -- not against those codes' own keyword tables. The keywords
themselves are unchanged from what the generators already produced.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>

Author: andy

scripts/codereg/ged03theory.py

@@ -193,7 +193,7 @@ def __init__(self,parent,helpURL=""):
                             "M06 (hybrid)",
                             "X3LYP (hybrid)",
                             "PBE0 (hybrid)",
-                            "BP86 (hybrid)",
+                            "BP86 (GGA)",
                             "SVWN 5 (local)",
                             "SVWN 1/RPA (local)",                            
                             "BLYP (nonlocal)",
@@ -203,7 +203,7 @@ def __init__(self,parent,helpURL=""):
                             "HCTH/147 (nonlocal)",
                             "HCTH/93 (nonlocal)",
                             "tHCTH (nonlocal)",
-                            "M06L (nonlocal)",
+                            "M06L (meta-GGA)",
                             "B97D (nonlocal)",
                             "B97D3 (nonlocal)",
                             "SOGGA11 (nonlocal)",
@@ -221,8 +221,7 @@ def __init__(self,parent,helpURL=""):
                             "MPWPW91 (hybrid)",
                             "MPW1K (hybrid)",
                             "MPW1LYP (hybrid)",
-                            "MPW1PBE (hybrid",
-                            "MPW3PBE (hybrid)",
+                            "MPW1PBE (hybrid)",
                             "O3LYP (hybrid)",
                             "Becke98 (hybrid)",
                             "Becke97 (1) (hybrid)",
@@ -231,7 +230,6 @@ def __init__(self,parent,helpURL=""):
                             "Becke Half and Half (hybrid)",
                             "Becke Half and LYP Half (hybrid)",
                             "BMK (hybrid)",
-                            "MO6HF (hybrid)",
                             "M062X (hybrid)",
                             "APFD (hybrid)",
                             "APF (hybrid)",
@@ -248,8 +246,12 @@ def __init__(self,parent,helpURL=""):
                             "CAM-B3LYP (range)",
                             "HISSbPBE (range)",
                             "M11 (range)",
-                            "N12SX (range)"
-                            "MN12SX (range)"
+                            "N12SX (range)",
+                            "MN12SX (range)",
+                            # Appended, not inserted: xcFuncDefault below
+                            # is an INDEX into this list.
+                            "M06HF (hybrid)",
+                            "MPw3PBE (hybrid)"
                             ]
             xcFuncDefault = 0
             if EcceGlobals.ReactionStudyFlag != 0:

scripts/codereg/ged09theory.py

@@ -271,8 +271,7 @@ def __init__(self,parent,helpURL=""):
                             "MPWPW91 (hybrid)",
                             "MPW1K (hybrid)",
                             "MPW1LYP (hybrid)",
-                            "MPW1PBE (hybrid",
-                            "MPW3PBE (hybrid)",
+                            "MPW1PBE (hybrid)",
                             "O3LYP (hybrid)",
                             "Becke98 (hybrid)",
                             "Becke97 (1) (hybrid)",
@@ -281,7 +280,6 @@ def __init__(self,parent,helpURL=""):
                             "Becke Half and Half (hybrid)",
                             "Becke Half and LYP Half (hybrid)",
                             "BMK (hybrid)",
-                            "MO6HF (hybrid)",
                             "M062X (hybrid)",
                             "APFD (hybrid)",
                             "APF (hybrid)",
@@ -298,8 +296,12 @@ def __init__(self,parent,helpURL=""):
                             "CAM-B3LYP (range)",
                             "HISSbPBE (range)",
                             "M11 (range)",
-                            "N12SX (range)"
-                            "MN12SX (range)"
+                            "N12SX (range)",
+                            "MN12SX (range)",
+                            # Appended, not inserted: xcFuncDefault below
+                            # is an INDEX into this list.
+                            "M06HF (hybrid)",
+                            "MPw3PBE (hybrid)"
                             ]
             xcFuncDefault = 3 #Andy  -- changed default from None to PBE0
             if EcceGlobals.ReactionStudyFlag != 0: