From e86357faa6caf28f5032c624fa0cba24e5dc4686 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 07 Mar 2014 12:13:21 +0000
Subject: [PATCH] Many fixes, before changing bondflip. triangles are still calculated in ts_bond_flip
---
src/io.c | 9 +++++++--
1 files changed, 7 insertions(+), 2 deletions(-)
diff --git a/src/io.c b/src/io.c
index 8b51793..4db7f56 100644
--- a/src/io.c
+++ b/src/io.c
@@ -341,7 +341,7 @@
long int brezveze0=1;
long int brezveze1=1;
long int brezveze2=1;
- ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0;
+ ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0,pressure=0.0;
long int iter=1000, init=1000, mcsw=1000;
@@ -351,7 +351,8 @@
CFG_SIMPLE_INT("nmono", &nmono),
CFG_SIMPLE_FLOAT("dmax", &dmax),
CFG_SIMPLE_FLOAT("xk0",&xk0),
- CFG_SIMPLE_FLOAT("k_spring",&kspring),
+ CFG_SIMPLE_FLOAT("pressure",&pressure),
+ CFG_SIMPLE_FLOAT("k_spring",&kspring),
CFG_SIMPLE_FLOAT("stepsize",&stepsize),
CFG_SIMPLE_INT("nxmax", &ncxmax),
CFG_SIMPLE_INT("nymax", &ncymax),
@@ -389,11 +390,15 @@
vesicle->nshell=nshell;
vesicle->dmax=dmax*dmax;
vesicle->bending_rigidity=xk0;
+ vtx_set_global_values(vesicle); //copies xk0 to every vertex
+
+
vesicle->stepsize=stepsize;
vesicle->clist->ncmax[0]=ncxmax;
vesicle->clist->ncmax[1]=ncymax;
vesicle->clist->ncmax[2]=nczmax;
vesicle->clist->max_occupancy=8;
+ vesicle->pressure=pressure/vesicle->bending_rigidity; //all energy contributions need to be divided by bending_rigidity!
cfg_free(cfg);
free(buf);
--
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