From fe5069cc3872b513f4715b0cfd303175ae80c468 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 30 Apr 2014 10:23:50 +0000
Subject: [PATCH] Debugged vertexmove. testing bondflip.
---
src/timestep.c | 22 +++++++++++++++-------
1 files changed, 15 insertions(+), 7 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index f24eccd..9001639 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -10,11 +10,12 @@
#include "io.h"
#include "stats.h"
#include "sh.h"
+#include "shcomplex.h"
#include "vesicle.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;
+ 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;
@@ -23,9 +24,10 @@
if(fd==NULL){
fatal("Cannot open statistics.csv file for writing",1);
}
- fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3\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");
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;
@@ -51,10 +53,15 @@
r0=getR0(vesicle);
if(vesicle->sphHarmonics!=NULL){
preparationSh(vesicle,r0);
- calculateYlmi(vesicle);
- calculateUlm(vesicle);
- storeUlm2(vesicle);
+ //calculateYlmi(vesicle);
+ calculateUlmComplex(vesicle);
+ storeUlmComplex2(vesicle);
saveAvgUlm2(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++){
@@ -69,7 +76,7 @@
fclose(fd1);
}
- fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3);
+ 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);
@@ -82,7 +89,7 @@
ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){
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();
@@ -98,6 +105,7 @@
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+ retval=TS_FAIL;
if(retval==TS_SUCCESS) bfsrcnt++;
}
--
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