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/bondflip.c | 17 ++++++++++++++---
1 files changed, 14 insertions(+), 3 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 13ec263..d48413f 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -40,6 +40,7 @@
ts_double delta_energy_cv;
ts_vertex *constvol_vtx_moved, *constvol_vtx_backup;
ts_bool retval;
+ ts_double temp_area=0.0;
if(it->neigh_no< 3) return TS_FAIL;
if(k->neigh_no< 3) return TS_FAIL;
@@ -176,6 +177,9 @@
/* vesicle_volume(vesicle);
fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
*/
+ if(vesicle->tape->stretchswitch==1){
+ temp_area=vesicle->area-lm->area-lp->area;
+ }
/* fix data structure for flipped bond */
ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w);
@@ -189,10 +193,13 @@
delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
//Neigbours of k, it, km, kp don't change its energy.
if(vesicle->tape->stretchswitch==1){
- oldenergy+=lm->energy+lp->energy;
+/* oldenergy+=lm->energy+lp->energy;
stretchenergy(vesicle,lm);
stretchenergy(vesicle,lp);
delta_energy+=lm->energy+lp->energy;
+ */
+ temp_area=temp_area+lm->area+lp->area;
+ delta_energy+=stretchenergy2(temp_area,vesicle->tlist->a0*vesicle->tlist->n)-stretchenergy2(vesicle->area,vesicle->tlist->a0*vesicle->tlist->n);
}
delta_energy-=oldenergy;
@@ -339,11 +346,11 @@
// fprintf(stderr,"Restoration complete!!!\n");
// vesicle_volume(vesicle);
// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
- if(vesicle->tape->stretchswitch==1){
+/* if(vesicle->tape->stretchswitch==1){
stretchenergy(vesicle,lm);
stretchenergy(vesicle,lp);
}
-
+*/
return TS_FAIL;
}
}
@@ -358,6 +365,10 @@
if(vesicle->tape->constareaswitch==2){
vesicle->area+=darea;
}
+ if(vesicle->tape->stretchswitch==1){
+ vesicle->area=temp_area;
+ }
+
// delete all backups
for(i=0;i<4;i++){
free(bck_vtx[i]->neigh);
--
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