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| author | Thomas White <taw@physics.org> | 2015-02-23 10:58:30 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-02-23 11:08:22 +0100 |
| commit | 4a0cf7f11d93008ca0a5cbe211c3fe7526a01890 (patch) | |
| tree | dd8d3935d7aacd09d68a63a337c4c48a95517784 | |
| parent | 750ffce173aa9d345d72411ba398d4c34203a649 (diff) | |
geoptimiser: look at the right crystal
| -rw-r--r-- | src/geoptimiser.c | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/src/geoptimiser.c b/src/geoptimiser.c index 1078d475..25610ff3 100644 --- a/src/geoptimiser.c +++ b/src/geoptimiser.c @@ -342,7 +342,7 @@ static struct pattern_list *read_patterns_from_steam_file(const char *infile, UnitCell *cell; UnitCell **new_unit_cells; - cell = crystal_get_cell(cur.crystals[0]); + cell = crystal_get_cell(cur.crystals[i]); new_unit_cells = realloc(patn->unit_cells, (patn->n_unit_cells+1)* |