From ad4e7069f10b80446be8d13eba28a03c2c642a3b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 13 Jun 2014 20:37:10 +0000
Subject: [PATCH] Now it works after remake! However, some crossection segments are in the list multiple times.
---
src/timestep.c | 64 ++++++++++++++++++++++++++++---
1 files changed, 57 insertions(+), 7 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index d5fd583..0c56618 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -12,30 +12,55 @@
#include "sh.h"
#include "shcomplex.h"
#include "vesicle.h"
+#include<gsl/gsl_complex.h>
+#include<gsl/gsl_complex_math.h>
+#include "cross-section.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_double r0,kc;
+ 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");
+
+ ts_coord_list *pts;
if(fd==NULL){
fatal("Cannot open statistics.csv file for writing",1);
}
- fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3 Kc\n");
+ 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);
@@ -45,6 +70,9 @@
if(i>=inititer){
write_vertex_xml_file(vesicle,i-inititer);
write_master_xml_file("test.pvd");
+ pts=get_crossection_with_plane(vesicle, 0.0,0.0,1.0,0.0);
+ save_crossection_snapshot(pts,i-inititer);
+ free(pts);
epochtime=get_epoch();
gyration_eigen(vesicle, &l1, &l2, &l3);
vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet!
@@ -56,7 +84,11 @@
calculateUlmComplex(vesicle);
storeUlmComplex2(vesicle);
saveAvgUlm2(vesicle);
- kc=calculateKc(vesicle);
+ kc1=calculateKc(vesicle, 2,9);
+ kc2=calculateKc(vesicle, 6,9);
+ kc3=calculateKc(vesicle, 2,vesicle->sphHarmonics->l);
+ kc4=calculateKc(vesicle, 3,6);
+
fd1=fopen("state.dat","w");
fprintf(fd1,"%e %e\n",vesicle->volume, getR0(vesicle));
for(k=0;k<vesicle->vlist->n;k++){
@@ -69,22 +101,37 @@
);
}
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\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3,kc);
+ 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();
@@ -100,6 +147,7 @@
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+ // b++; retval=TS_FAIL;
if(retval==TS_SUCCESS) bfsrcnt++;
}
@@ -126,6 +174,8 @@
// 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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