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 | 13 ++++++++++++-
1 files changed, 12 insertions(+), 1 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index a8f0f94..a57687a 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -27,15 +27,21 @@
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);
@@ -86,9 +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();
@@ -104,6 +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++;
}
@@ -130,6 +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;
}
--
Gitblit v1.9.3