From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 21 Aug 2008 10:12:58 +0000 (+0200)
Subject: introduced time constant in scaling methods
X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=commitdiff_plain;h=c2697c8b6f808b7edef2f9e2ceded0aa65374168

introduced time constant in scaling methods
---

diff --git a/moldyn.c b/moldyn.c
index 9bd216d..4812902 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -872,7 +872,7 @@ int scale_velocity(t_moldyn *moldyn,u8 equi_init) {
 		scale*=2.0;
 	else
 		if(moldyn->pt_scale&T_SCALE_BERENDSEN)
-			scale=1.0+(scale-1.0)/moldyn->t_tc;
+			scale=1.0+(scale-1.0)*moldyn->timestep/moldyn->t_tc;
 	scale=sqrt(scale);
 
 	/* velocity scaling */
@@ -1182,8 +1182,8 @@ int scale_volume(t_moldyn *moldyn) {
 
 	/* scaling factor */
 	if(moldyn->pt_scale&P_SCALE_BERENDSEN) {
-		scale=1.0-(moldyn->p_ref-moldyn->p)*moldyn->p_tc;
-		scale=pow(scale,ONE_THIRD);
+		scale=(moldyn->p_ref-moldyn->p)*moldyn->p_tc*moldyn->timestep;
+		scale=pow(1.0-scale,ONE_THIRD);
 	}
 	else {
 		scale=pow(moldyn->p/moldyn->p_ref,ONE_THIRD);