From 18f6336bc79a61fd31e5b04f0c84cc7a5413c70d Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 24 Feb 2010 19:22:27 +0100 Subject: 'indexamajig' should use the indexed cell for simulation, not the model cell --- src/indexamajig.c | 2 ++ 1 file changed, 2 insertions(+) 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, -- cgit v1.2.3