From 1121faa13a2038facad22073f0fc610903d98691 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@CAE-linux.(none)>
Date: Fri, 05 Sep 2014 20:18:05 +0000
Subject: [PATCH] First variant of constant volume constrant (a new one proposed by Miha after reading his article). It seems to work, however there are still some things to be done, such as Miha's derivation of the epsvol (0.003% is used at the moment) and solving the problem of additional global variables.

---
 src/tape |   17 +++++++++++++----
 1 files changed, 13 insertions(+), 4 deletions(-)

diff --git a/src/tape b/src/tape
index 27abf01..b0ac65c 100644
--- a/src/tape
+++ b/src/tape
@@ -16,9 +16,14 @@
 # pressure difference: p_inside - p_outside (in units kT/l_min^3):
 pressure=0.0
 
+#Constant volume constraint (0 disable constant volume, 1 enable)
+constvolswitch=1
+constvolprecision=1e-14
+
+
 ####### Polymer (brush) definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=0
+npoly=500
 # nmono is a number of monomers in each polymer
 nmono=10
 # Spring constant between monomers of the polymer
@@ -44,15 +49,19 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=250
+#200000
+mcsweeps=20
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
+#2
 inititer=0
 #how many records do you want on the disk iteration are there in a run?
-iterations=15000
+#10000
+iterations=100
 
 
 ###### Spherical harmonics ###########
-spherical_harmonics_coefficients=15
+# If 0 then spherical harmonics are not calculated at all.
+spherical_harmonics_coefficients=21
 
 #shut up if we are using cluster!!!
 quiet=false

--
Gitblit v1.9.3