From d7a113d890064e18aa9f4267c33ac71348c6ba98 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 04 Nov 2013 21:54:22 +0000
Subject: [PATCH] Changes in main loop. It allows setting inner, outer loop and initial mc sweeps to be discarded
---
src/timestep.c | 29 ++++++++++++++++++++++++++---
1 files changed, 26 insertions(+), 3 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 829faec..4c9fa67 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -5,6 +5,27 @@
#include "general.h"
#include "timestep.h"
#include "vertexmove.h"
+#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;
+
+ 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++){
+ for(j=0;j<mcsweeps;j++){
+ single_timestep(vesicle);
+ }
+ centermass(vesicle);
+ cell_occupation(vesicle);
+ if(i>inititer){
+ write_vertex_xml_file(vesicle,i-inititer);
+ }
+ }
+ return TS_SUCCESS;
+}
ts_bool single_timestep(ts_vesicle *vesicle){
ts_bool retval;
@@ -17,16 +38,18 @@
retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec);
}
+// ts_int cnt=0;
for(i=0;i<vesicle->blist->n;i++){
rnvec[0]=drand48();
rnvec[1]=drand48();
rnvec[2]=drand48();
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
-// retval=single_bondflip_timestep(vesicle,&vesicle->blist.bond[i],rnvec);
-
+ retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[i],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);
+ if(retval);
return TS_SUCCESS;
}
--
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