From 142a67fe82b830e5c7816914afa62445959c87ca Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 05 Nov 2013 14:04:21 +0000
Subject: [PATCH] changes in bondflip call. No need to bondflip all the bonds, but only as many bonds as there are vertices. Also, rnvec seems to be not needed for bondflip, so it is commented out
---
src/vertexmove.c | 18 +++++++++++++++---
1 files changed, 15 insertions(+), 3 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index f38e3c7..a79b2f0 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -20,6 +20,7 @@
ts_bool retval;
ts_uint cellidx;
ts_double delta_energy,oenergy;
+ ts_double costheta,sintheta,phi,r;
//This will hold all the information of vtx and its neighbours
ts_vertex backupvtx[20];
memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));
@@ -35,9 +36,20 @@
*/
//temporarly moving the vertex
- vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
- vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
- vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
+// vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
+// vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
+// vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
+
+ //random move in a sphere with radius stepsize:
+ r=vesicle->stepsize*rn[0];
+ phi=rn[1]*2*M_PI;
+ costheta=2*rn[2]-1;
+ sintheta=sqrt(1-pow(costheta,2));
+ vtx->x=vtx->x+r*sintheta*cos(phi);
+ vtx->y=vtx->y+r*sintheta*sin(phi);
+ vtx->z=vtx->z+r*costheta;
+
+
//distance with neighbours check
for(i=0;i<vtx->neigh_no;i++){
dist=vtx_distance_sq(vtx,vtx->neigh[i]);
--
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