From fedf2b217113800a15f367e111e2dbcad4a3c92c Mon Sep 17 00:00:00 2001
From: Miha <mihaf@hapi.(none)>
Date: Thu, 06 Feb 2014 17:39:37 +0000
Subject: [PATCH] Polymers thermicaly move now! HArmonic potential added.

---
 src/timestep.c |   29 ++++++++++++++++-------------
 1 files changed, 16 insertions(+), 13 deletions(-)

diff --git a/src/timestep.c b/src/timestep.c
index 1ac1eb4..0ce9372 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -7,8 +7,8 @@
 #include "vertexmove.h"
 #include "bondflip.h"
 #include "frame.h"
-#include "vertex.h"
 #include "io.h"
+
 ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){
 	ts_uint i, j;
 
@@ -31,24 +31,16 @@
 ts_bool single_timestep(ts_vesicle *vesicle){
     ts_bool retval;
     ts_double rnvec[3];
-    ts_uint i, b;
+    ts_uint i,j,b;
     for(i=0;i<vesicle->vlist->n;i++){
         rnvec[0]=drand48();
         rnvec[1]=drand48();
         rnvec[2]=drand48();
-	vertex_taint(vesicle->vlist->vtx[i],1);
-//		ts_fprintf(stdout, "Vertex %d should be tainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
-	if(vertex_tainted(vesicle->vlist->vtx[i],1,1)){
-		ts_fprintf(stdout, "Vertex %d tainted, level=%d. Waiting....\n", i, vesicle->vlist->vtx[i]->locked);
-		while(vertex_tainted(vesicle->vlist->vtx[i],1,1));
-	}
         retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec);
-	vertex_untaint(vesicle->vlist->vtx[i],1);
-//		ts_fprintf(stdout, "Vertex %d should be untainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
     }
 
 //	ts_int cnt=0;
-    for(i=0;i<vesicle->vlist->n;i++){
+    for(i=0;i<3*vesicle->vlist->n;i++){
 //why is rnvec needed in bondflip?
 /*        rnvec[0]=drand48();
         rnvec[1]=drand48();
@@ -59,8 +51,19 @@
         //call single_bondflip_timestep...
         retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
 //	if(retval==TS_SUCCESS) cnt++;        
-    } 
-//	printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,vesicle->blist->n,(double)cnt/(double)vesicle->blist->n);
+    }
+
+	for(i=0;i<vesicle->poly_list->n;i++){
+	for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
+		rnvec[0]=drand48();
+		rnvec[1]=drand48();
+		rnvec[2]=drand48();
+		retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec);	
+	}
+
+	}
+ 
+//	printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0);
 	if(retval);
     return TS_SUCCESS;
 }

--
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