From 42641cde38cfd1d27a2031604cc1397b5bd2849b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 21 Mar 2014 20:57:24 +0000
Subject: [PATCH] Merge with trout-rnc.
---
src/timestep.c | 22 ++++++++++++++++------
1 files changed, 16 insertions(+), 6 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 92a4a25..d631d42 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -23,7 +23,7 @@
cell_occupation(vesicle);
ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps);
dump_state(vesicle,i);
- if(i>inititer){
+ if(i>=inititer){
write_vertex_xml_file(vesicle,i-inititer);
}
}
@@ -56,15 +56,25 @@
}
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);
+ 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);
+ }
}
+
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ rnvec[0]=drand48();
+ rnvec[1]=drand48();
+ rnvec[2]=drand48();
+ retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_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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