]> hackdaworld.org Git - physik/posic.git/commitdiff
QUENCH feature (well, or sth like that ...)
authorhackbard <hackbard@sage.physik.uni-augsburg.de>
Mon, 17 Aug 2009 14:03:35 +0000 (16:03 +0200)
committerhackbard <hackbard@sage.physik.uni-augsburg.de>
Mon, 17 Aug 2009 14:03:35 +0000 (16:03 +0200)
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) {