From 611412f383b15904cb0339e77b2f1f6c29453557 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 11 Apr 2014 08:06:40 +0000
Subject: [PATCH] Nekaj malega. Ne veva več kaj.
---
src/stats.c | 10 ++++++++--
src/tape | 8 ++++----
2 files changed, 12 insertions(+), 6 deletions(-)
diff --git a/src/stats.c b/src/stats.c
index 4648d29..077781e 100644
--- a/src/stats.c
+++ b/src/stats.c
@@ -15,20 +15,26 @@
ts_uint i,j,k;
ts_double mat[3][3];
ts_double vec[3];
+
for(i = 0; i < 3; i++)
for(j = 0; j < 3; j++)
mat[i][j]=0;
-
for(k=0;k<vesicle->vlist->n;k++){
vec[0]=vesicle->vlist->vtx[k]->x;
vec[1]=vesicle->vlist->vtx[k]->y;
vec[2]=vesicle->vlist->vtx[k]->z;
for(i = 0; i < 3; i++)
for(j = 0; j <= i; j++)
- mat[i][j]+=vec[i]*vec[j];
+ mat[i][j]+=vec[i]*vec[j];
}
+// Normalize gyration tensor:
+ for(i = 0; i < 3; i++)
+ for(j = 0; j <= i; j++)
+ mat[i][j]=mat[i][j]/(ts_double)vesicle->vlist->n;
+
+
// diagonal elements are copied twice!
for(i = 0; i < 3; i++)
for(j = 0; j <= i; j++){
diff --git a/src/tape b/src/tape
index dbaabdb..713e2b7 100644
--- a/src/tape
+++ b/src/tape
@@ -14,7 +14,7 @@
# (pswitch=1: calc. p*dV energy contribution)
pswitch = 1
# pressure difference: p_inside - p_outside (in units kT/l_min^3):
-pressure=-1.0
+pressure=0.0
####### Polymer (brush) definitions ###########
# npoly is a number of polymers attached to npoly distinct vertices on vesicle
@@ -30,7 +30,7 @@
# nfono is a number of monomers in each filament
nfono=300
# Persistence lenght of the filaments (in units l_min)
-xi=5000
+xi=0
####### Nucleus (inside the vesicle) ###########
# Radius of an impenetrable hard sphere inside the vesicle
@@ -44,11 +44,11 @@
####### Program Control ############
#how many MC sweeps between subsequent records of states to disk
-mcsweeps=10
+mcsweeps=100
#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=20
+iterations=500
#shut up if we are using cluster!!!
--
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