From c50b85bfbdc8bc45c8f2065f408a4fc9b5bea0e3 Mon Sep 17 00:00:00 2001 From: Edoardo Apra Date: Mon, 7 Dec 2015 22:45:47 +0000 Subject: [PATCH] missing abelian groups --- src/symmetry/sym_abelian.F | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/symmetry/sym_abelian.F b/src/symmetry/sym_abelian.F index c87d2ae6a1..0a8f31f473 100644 --- a/src/symmetry/sym_abelian.F +++ b/src/symmetry/sym_abelian.F @@ -10,9 +10,11 @@ c Return true if the point group of the geometry is abelian c character*8 group integer nab, ind - parameter (nab = 8) + parameter (nab = 18) character*4 ab(nab) - data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h'/ + data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h', + C 'C3','C4','C5','C6','C7','C8', + C 'C3h','C4h','C5h','C6h'/ c call sym_group_name(geom, group) c