From 0f9d229fb830435d92cfc73c85aa7771a420286c Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Tue, 13 May 2014 09:23:46 +0000
Subject: [PATCH] Just tape
---
src/timestep.c | 20 ++++++++++++++++----
1 files changed, 16 insertions(+), 4 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index c0a8ef1..a57687a 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -15,7 +15,7 @@
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,kc1,kc2,kc3;
+ 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;
@@ -24,18 +24,24 @@
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)\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;
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);
@@ -59,6 +65,7 @@
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));
@@ -74,7 +81,7 @@
fclose(fd1);
}
- fprintf(fd, "%lu %u %e %e %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);
+ 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);
@@ -85,9 +92,11 @@
}
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();
@@ -103,6 +112,7 @@
//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++;
}
@@ -129,6 +139,8 @@
// 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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