From 55b16c49424cd61d6a00a167862c390c274c307e Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 12 Nov 2010 16:45:13 +0100 Subject: Add more symmetries, update docs about cell settings --- src/cell.c | 1 + 1 file changed, 1 insertion(+) (limited to 'src/cell.c') diff --git a/src/cell.c b/src/cell.c index d12191a7..7b5379a5 100644 --- a/src/cell.c +++ b/src/cell.c @@ -801,6 +801,7 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym) if ( strcmp(sym, "P 63") == 0 ) new = "6"; if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222"; + if ( strcmp(sym, "P 2 2 2") == 0 ) new = "222"; if ( strcmp(sym, "P 43 21 2") == 0 ) new = "422"; if ( new != NULL ) { -- cgit v1.2.3