From 41637ae4c538b5f11b41dacf6f941479e7a5ff00 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Fri, 06 Jun 2014 09:48:41 +0000
Subject: [PATCH] CV bug fix. Changes in constant volume: verifying the neightbour distances and removed preliminary contraints check. Seems to work now.

---
 src/tape |    9 +++++----
 1 files changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/tape b/src/tape
index 935bf18..cedfc46 100644
--- a/src/tape
+++ b/src/tape
@@ -17,8 +17,8 @@
 pressure=0.0
 
 #Constant volume constraint (0 disable constant volume, 1 enable)
-constvolswitch=1
-constvolprecision=1e-3
+constvolswitch=0
+constvolprecision=1e-14
 
 
 ####### Polymer (brush) definitions ###########
@@ -49,14 +49,15 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=250
+mcsweeps=20
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
 inititer=0
 #how many records do you want on the disk iteration are there in a run?
-iterations=100
+iterations=10
 
 
 ###### Spherical harmonics ###########
+# If 0 then spherical harmonics are not calculated at all.
 spherical_harmonics_coefficients=21
 
 #shut up if we are using cluster!!!

--
Gitblit v1.9.3