From 414b8ab65b13c32594178ba3d09b16d34f14bb19 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 07 Mar 2014 15:15:08 +0000
Subject: [PATCH] finished constant volume. Problems still exists.
---
src/io.c | 16 +++++++++++++---
1 files changed, 13 insertions(+), 3 deletions(-)
diff --git a/src/io.c b/src/io.c
index 81ab298..e43c1b9 100644
--- a/src/io.c
+++ b/src/io.c
@@ -336,12 +336,12 @@
ts_vesicle *parsetape(ts_uint *mcsweeps, ts_uint *inititer, ts_uint *iterations){
- long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20; // THIS IS DUE TO CONFUSE BUG!
+ long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20, pswitch=0; // THIS IS DUE TO CONFUSE BUG!
char *buf=malloc(255*sizeof(char));
long int brezveze0=1;
long int brezveze1=1;
long int brezveze2=1;
- ts_double xk0=25.0, dmax=1.67,stepsize=0.15;
+ 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;
@@ -351,6 +351,9 @@
CFG_SIMPLE_INT("nmono", &nmono),
CFG_SIMPLE_FLOAT("dmax", &dmax),
CFG_SIMPLE_FLOAT("xk0",&xk0),
+ CFG_SIMPLE_INT("pswitch",&pswitch),
+ 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),
@@ -381,16 +384,23 @@
*mcsweeps=mcsw;
vesicle=initial_distribution_dipyramid(nshell,ncxmax,ncymax,nczmax,stepsize);
vesicle->poly_list=init_poly_list(npoly,nmono, vesicle->vlist);
+ vesicle->spring_constant=kspring;
+ poly_assign_spring_const(vesicle);
+
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!
+ vesicle->pswitch=pswitch;
cfg_free(cfg);
free(buf);
// fprintf(stderr,"NSHELL=%u\n",vesicle->nshell);
--
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