From 8a66144c9118f8df80eba28c5b363fac574194da Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 08 Mar 2014 18:25:18 +0000
Subject: [PATCH] Parsing command line arguments is still kind-of messy, but it workds for force-from-tape and reset-iteration-count
---
src/timestep.c | 37 +++++++++++++++++++++----------------
1 files changed, 21 insertions(+), 16 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 1ac1eb4..92a4a25 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -7,20 +7,22 @@
#include "vertexmove.h"
#include "bondflip.h"
#include "frame.h"
-#include "vertex.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;
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,i);
if(i>inititer){
write_vertex_xml_file(vesicle,i-inititer);
}
@@ -31,24 +33,16 @@
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();
rnvec[2]=drand48();
- vertex_taint(vesicle->vlist->vtx[i],1);
-// ts_fprintf(stdout, "Vertex %d should be tainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
- if(vertex_tainted(vesicle->vlist->vtx[i],1,1)){
- ts_fprintf(stdout, "Vertex %d tainted, level=%d. Waiting....\n", i, vesicle->vlist->vtx[i]->locked);
- while(vertex_tainted(vesicle->vlist->vtx[i],1,1));
- }
retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec);
- vertex_untaint(vesicle->vlist->vtx[i],1);
-// ts_fprintf(stdout, "Vertex %d should be untainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
}
// 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();
@@ -59,8 +53,19 @@
//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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