From fedf2b217113800a15f367e111e2dbcad4a3c92c Mon Sep 17 00:00:00 2001
From: Miha <mihaf@hapi.(none)>
Date: Thu, 06 Feb 2014 17:39:37 +0000
Subject: [PATCH] Polymers thermicaly move now! HArmonic potential added.
---
src/timestep.c | 20 ++++++++++++++++----
1 files changed, 16 insertions(+), 4 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 9e5e61c..0ce9372 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -8,6 +8,7 @@
#include "bondflip.h"
#include "frame.h"
#include "io.h"
+
ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){
ts_uint i, j;
@@ -30,7 +31,7 @@
ts_bool single_timestep(ts_vesicle *vesicle){
ts_bool retval;
ts_double rnvec[3];
- ts_uint i, b;
+ ts_uint i,j,b;
for(i=0;i<vesicle->vlist->n;i++){
rnvec[0]=drand48();
rnvec[1]=drand48();
@@ -39,7 +40,7 @@
}
// ts_int cnt=0;
- for(i=0;i<vesicle->vlist->n;i++){
+ for(i=0;i<3*vesicle->vlist->n;i++){
//why is rnvec needed in bondflip?
/* rnvec[0]=drand48();
rnvec[1]=drand48();
@@ -50,8 +51,19 @@
//call single_bondflip_timestep...
retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
// if(retval==TS_SUCCESS) cnt++;
- }
-// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,vesicle->blist->n,(double)cnt/(double)vesicle->blist->n);
+ }
+
+ for(i=0;i<vesicle->poly_list->n;i++){
+ for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
+ rnvec[0]=drand48();
+ rnvec[1]=drand48();
+ rnvec[2]=drand48();
+ retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec);
+ }
+
+ }
+
+// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0);
if(retval);
return TS_SUCCESS;
}
--
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