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QUENCH feature (well, or sth like that ...)
author
hackbard
<hackbard@sage.physik.uni-augsburg.de>
Mon, 17 Aug 2009 14:03:35 +0000
(16:03 +0200)
committer
hackbard
<hackbard@sage.physik.uni-augsburg.de>
Mon, 17 Aug 2009 14:03:35 +0000
(16:03 +0200)
moldyn.c
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diff --git
a/moldyn.c
b/moldyn.c
index d3d63eb844ff7c1f0e2bd7dd59f2aa5d87d38a1f..056047cad6eee1dd499bf1c22f1cff021b9e4b00 100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-2283,7
+2283,9
@@
int velocity_verlet(t_moldyn *moldyn) {
delta.y=-delta.x;
}
#endif
+#ifndef QUENCH
v3_add(&(atom[i].r),&(atom[i].r),&delta);
+#endif
v3_scale(&delta,&(atom[i].f),h*tau_square);
#ifdef CONSTRAINT_110_5832
if(i==5832) {