From 9f2ad693eae7abbd0b4f93db9a76caecf79a759a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 24 Apr 2014 14:02:47 +0000
Subject: [PATCH] Kc calculation seems to work. Performance issues persists.
---
src/timestep.c | 14 ++++++++------
1 files changed, 8 insertions(+), 6 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index f24eccd..d5fd583 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,kc;
ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt;
ts_ulong epochtime;
FILE *fd1;
@@ -23,7 +24,7 @@
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\n");
centermass(vesicle);
cell_occupation(vesicle);
if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
@@ -51,10 +52,11 @@
r0=getR0(vesicle);
if(vesicle->sphHarmonics!=NULL){
preparationSh(vesicle,r0);
- calculateYlmi(vesicle);
- calculateUlm(vesicle);
- storeUlm2(vesicle);
+ //calculateYlmi(vesicle);
+ calculateUlmComplex(vesicle);
+ storeUlmComplex2(vesicle);
saveAvgUlm2(vesicle);
+ kc=calculateKc(vesicle);
fd1=fopen("state.dat","w");
fprintf(fd1,"%e %e\n",vesicle->volume, getR0(vesicle));
for(k=0;k<vesicle->vlist->n;k++){
@@ -69,7 +71,7 @@
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\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3,kc);
fflush(fd);
// sprintf(filename,"timestep-%05d.pov",i-inititer);
// write_pov_file(vesicle,filename);
--
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