From 9d5216497310cf33ef3db2d511787a779ebccda3 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Tue, 08 Jul 2014 16:27:32 +0000
Subject: [PATCH] Merge branch 'master' of https://bitbucket.org/samop/trisurf-ng
---
src/timestep.c | 52 ++++++++++++++++++++++++++++++++++++++++++++++------
1 files changed, 46 insertions(+), 6 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 2ecc30b..f2fb478 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -12,30 +12,53 @@
#include "sh.h"
#include "shcomplex.h"
#include "vesicle.h"
+#include<gsl/gsl_complex.h>
+#include<gsl/gsl_complex_math.h>
+
ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){
- ts_uint i, j,k;
+ ts_uint i, j,k,l,m;
ts_double r0,kc1,kc2,kc3,kc4;
ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt;
ts_ulong epochtime;
- FILE *fd1;
+ FILE *fd1,*fd2=NULL;
// char filename[255];
FILE *fd=fopen("statistics.csv","w");
if(fd==NULL){
fatal("Cannot open statistics.csv file for writing",1);
}
fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3 Kc(2-9) Kc(6-9) Kc(2-end) Kc(3-6)\n");
+
+ if(vesicle->sphHarmonics!=NULL){
+ fd2=fopen("ulm2.csv","w");
+ if(fd2==NULL){
+ fatal("Cannot open ulm2.csv file for writing",1);
+ }
+ fprintf(fd2, "Timestep u_00^2 u_10^2 u_11^2 u_20^2 ...\n");
+
+ }
+
+/* RANDOM SEED SET BY CURRENT TIME */
+ epochtime=get_epoch();
+ srand48(epochtime);
+
centermass(vesicle);
cell_occupation(vesicle);
+ vesicle_volume(vesicle); //needed for constant volume at this moment
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++){
vmsr=0.0;
bfsr=0.0;
+/* vesicle_volume(vesicle);
+ fprintf(stderr,"Volume before TS=%1.16e\n", vesicle->volume); */
for(j=0;j<mcsweeps;j++){
single_timestep(vesicle, &vmsrt, &bfsrt);
vmsr+=vmsrt;
bfsr+=bfsrt;
}
+/*
+ vesicle_volume(vesicle);
+ fprintf(stderr,"Volume after TS=%1.16e\n", vesicle->volume); */
vmsr/=(ts_double)mcsweeps;
bfsr/=(ts_double)mcsweeps;
centermass(vesicle);
@@ -73,22 +96,37 @@
);
}
fclose(fd1);
+
+ fprintf(fd2,"%u ", i);
+ for(l=0;l<vesicle->sphHarmonics->l;l++){
+ for(m=l;m<2*l+1;m++){
+ fprintf(fd2,"%e ", gsl_complex_abs2(vesicle->sphHarmonics->ulmComplex[l][m]) );
+ }
+ }
+ fprintf(fd2,"\n");
+
+ fflush(fd2);
+
}
fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3,kc1, kc2, kc3,kc4);
+
fflush(fd);
// sprintf(filename,"timestep-%05d.pov",i-inititer);
// write_pov_file(vesicle,filename);
}
}
fclose(fd);
+ if(fd2!=NULL) fclose(fd2);
return TS_SUCCESS;
}
ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume before TS=%1.16e\n", vesicle->volume);
ts_bool retval;
ts_double rnvec[3];
- ts_uint i,j;//b;
+ ts_uint i,j, b;
ts_uint vmsrcnt=0;
for(i=0;i<vesicle->vlist->n;i++){
rnvec[0]=drand48();
@@ -100,11 +138,11 @@
ts_int bfsrcnt=0;
for(i=0;i<3*vesicle->vlist->n;i++){
-// b=rand() % vesicle->blist->n;
+ b=rand() % vesicle->blist->n;
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
- // retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
- retval=TS_FAIL;
+ retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+ // b++; retval=TS_FAIL;
if(retval==TS_SUCCESS) bfsrcnt++;
}
@@ -131,6 +169,8 @@
// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0);
*vmsr=(ts_double)vmsrcnt/(ts_double)vesicle->vlist->n;
*bfsr=(ts_double)bfsrcnt/(ts_double)vesicle->vlist->n/3.0;
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after TS=%1.16e\n", vesicle->volume);
return TS_SUCCESS;
}
--
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