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authorThomas White <taw@physics.org>2011-08-04 16:45:42 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:36 +0100
commitee2f83aea5b744d9752ff382fddce50f87032950 (patch)
treeff35c4636cec8c7d55f29b4d0d9877c99d59c217
parent90cf9ea8c5ef81faca8e7328d03644feffa53211 (diff)
"Walk" to the end of the graph
-rw-r--r--src/reax.c2
1 files changed, 1 insertions, 1 deletions
diff --git a/src/reax.c b/src/reax.c
index 81ead49e..8faae010 100644
--- a/src/reax.c
+++ b/src/reax.c
@@ -142,7 +142,7 @@ static void walk_graph(double *x, double *y, double *z, int smin, int smax,
smax = new_s + 1;
mult++;
- } while ( mult<5 );
+ } while ( smax < nel/2+1 );
modv = 2.0*pmax / (double)s;
modv *= mult-1;