From ea1cce4c80ddb68c0b46a6873ef3b64cc4a958a1 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Mon, 24 Mar 2014 16:37:44 +0000
Subject: [PATCH] Added dmin_interspecies.
---
src/timestep.c | 33 +++++++++++++++++++++++----------
1 files changed, 23 insertions(+), 10 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 8ae5a30..3369b9f 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -9,22 +9,25 @@
#include "frame.h"
#include "io.h"
-ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){
+ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){
ts_uint i, j;
+ char filename[255];
centermass(vesicle);
cell_occupation(vesicle);
- ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
- for(i=0;i<inititer+iterations;i++){
+ if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
+ for(i=start_iteration;i<inititer+iterations;i++){
for(j=0;j<mcsweeps;j++){
single_timestep(vesicle);
}
centermass(vesicle);
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);
- if(i>inititer){
+ dump_state(vesicle,i);
+ if(i>=inititer){
write_vertex_xml_file(vesicle,i-inititer);
+ // sprintf(filename,"timestep-%05d.pov",i-inititer);
+ write_pov_file(vesicle,filename);
}
}
return TS_SUCCESS;
@@ -56,15 +59,25 @@
}
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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