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| author | Thomas White <taw@physics.org> | 2010-02-24 19:22:27 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-02-24 19:22:27 +0100 |
| commit | 18f6336bc79a61fd31e5b04f0c84cc7a5413c70d (patch) | |
| tree | 5551b18fc7cede00e985557f2ea00e417d8fa8de | |
| parent | c6208d8c300e39956c9d39092ee5d05fff35adc8 (diff) | |
'indexamajig' should use the indexed cell for simulation, not the model cell
| -rw-r--r-- | src/indexamajig.c | 2 |
1 files changed, 2 insertions, 0 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 30e6facf..c7f0279c 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -245,6 +245,8 @@ int main(int argc, char *argv[]) image.data = NULL; + image.molecule->cell = image.indexed_cell; + if ( config_gpu ) { if ( gctx == NULL ) { gctx = setup_gpu(0, &image, |