From fbf49170d213d948e9523d727a76b5337de90a05 Mon Sep 17 00:00:00 2001 From: hackbard 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) { -- 2.20.1