From 620ba72765eda244ca3f3806b8ad709929e74b3c Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 21 Jun 2018 10:50:23 +0000
Subject: [PATCH] Isak's proposal for stretching energy calculation, take 1
---
src/vertexmove.c | 25 +++++++++++++++++++------
1 files changed, 19 insertions(+), 6 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 45a4b33..1d5d7fa 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -22,6 +22,7 @@
ts_bool retval;
ts_uint cellidx;
ts_double delta_energy, delta_energy_cv,oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0;
+ ts_double temp_area=0.0; //for stretching
ts_double costheta,sintheta,phi,r;
//This will hold all the information of vtx and its neighbours
ts_vertex backupvtx[20], *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
@@ -115,7 +116,13 @@
}
//stretching energy 1 of 3
if(vesicle->tape->stretchswitch==1){
- for(i=0;i<vtx->tristar_no;i++) dstretchenergy-=vtx->tristar[i]->energy;
+ temp_area=vesicle->area;
+ dstretchenergy-=stretchenergy2(vesicle->area,vesicle->tlist->a0*vesicle->tlist->n);
+ for(i=0;i<vtx->tristar_no;i++){
+ temp_area-=vtx->tristar[i]->area;
+ }
+ //0.5*vesicle->tape->xkA0*pow((vesicle->area-vesicle->tlist->a0*vesicle->tlist->n),2)/(vesicle->tlist->a0*vesicle->tlist->n);
+ //for(i=0;i<vtx->tristar_no;i++) dstretchenergy-=vtx->tristar[i]->energy;
}
delta_energy=0;
@@ -197,10 +204,12 @@
//stretching energy 2 of 3
if(vesicle->tape->stretchswitch==1){
- for(i=0;i<vtx->tristar_no;i++){
- stretchenergy(vesicle, vtx->tristar[i]);
- dstretchenergy+=vtx->tristar[i]->energy;
+ for(i=0;i<vtx->tristar_no;i++){
+ temp_area+=vtx->tristar[i]->area;
}
+ dstretchenergy+=stretchenergy2(temp_area,vesicle->tlist->a0*vesicle->tlist->n);
+ dstretchenergy=0.5*vesicle->tape->xkA0*dstretchenergy;
+
}
delta_energy+=dstretchenergy;
@@ -235,13 +244,13 @@
//update the normals of triangles that share bead i.
for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
- //stretching energy 3 of 3
+/* //stretching energy 3 of 3
if(vesicle->tape->stretchswitch==1){
for(i=0;i<vtx->tristar_no;i++){
stretchenergy(vesicle,vtx->tristar[i]);
}
}
-
+*/
// fprintf(stderr, "before vtx(x,y,z)=%e,%e,%e\n",constvol_vtx_moved->x, constvol_vtx_moved->y, constvol_vtx_moved->z);
if(vesicle->tape->constvolswitch == 1){
constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
@@ -272,6 +281,10 @@
if(vesicle->tape->constareaswitch==2){
vesicle->area+=darea;
}
+ //stretching energy 3 of 3
+ if(vesicle->tape->stretchswitch==1){
+ vesicle->area=temp_area;
+ }
// if(oldcellidx);
//END MONTE CARLOOOOOOO
// vesicle_volume(vesicle);
--
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