diff options
| -rw-r--r-- | src/symmetry.c | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/src/symmetry.c b/src/symmetry.c index cbc442b7..f0b24146 100644 --- a/src/symmetry.c +++ b/src/symmetry.c @@ -376,6 +376,15 @@ static SymOpList *make_2m() } +static SymOpList *make_2_uab() +{ + SymOpList *new = new_symoplist(); + add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,-1), 2); /* 2 // k */ + new->name = strdup("2_uab"); + return expand_ops(new); +} + + static SymOpList *make_2() { SymOpList *new = new_symoplist(); @@ -806,6 +815,7 @@ SymOpList *get_pointgroup(const char *sym) /* Monoclinic */ if ( strcmp(sym, "2/m") == 0 ) return make_2m(); if ( strcmp(sym, "2") == 0 ) return make_2(); + if ( strcmp(sym, "2_uab") == 0 ) return make_2_uab(); if ( strcmp(sym, "m") == 0 ) return make_m(); /* Orthorhombic */ |