From fbf49170d213d948e9523d727a76b5337de90a05 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Mon, 17 Aug 2009 16:03:35 +0200
Subject: [PATCH] QUENCH feature (well, or sth like that ...)
---
moldyn.c | 2 ++
1 file changed, 2 insertions(+)
diff --git a/moldyn.c b/moldyn.c
index d3d63eb..056047c 100644
--- 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) {
--
2.39.5