From 38ed8080d35e61c2b3695c37d4a0bbe84c5722dd Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 03 Jul 2016 18:37:04 +0000
Subject: [PATCH] Difference in energy still persists.
---
src/bondflip.c | 8 ++++++--
1 files changed, 6 insertions(+), 2 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index bb6bd33..66c40f7 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdlib.h>
#include<math.h>
#include "general.h"
@@ -167,6 +168,7 @@
oldenergy+=kp->xk* kp->energy;
oldenergy+=km->xk* km->energy;
oldenergy+=it->xk* it->energy;
+ oldenergy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
//Neigbours of k, it, km, kp don't change its energy.
if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){dvol = -lm->volume - lp->volume;}
@@ -176,7 +178,7 @@
*/
/* fix data structure for flipped bond */
- ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1);
+ ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w);
/* Calculating the new energy */
@@ -185,6 +187,7 @@
delta_energy+=kp->xk* kp->energy;
delta_energy+=km->xk* km->energy;
delta_energy+=it->xk* it->energy;
+ delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
//Neigbours of k, it, km, kp don't change its energy.
delta_energy-=oldenergy;
@@ -368,7 +371,7 @@
ts_bool ts_flip_bond(ts_vertex *k,ts_vertex *it,ts_vertex *km, ts_vertex *kp,
-ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1){
+ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1, ts_double w_energy){
ts_uint i; //lmidx, lpidx;
if(k==NULL || it==NULL || km==NULL || kp==NULL){
@@ -434,6 +437,7 @@
energy_vertex(kp);
energy_vertex(km);
energy_vertex(it);
+ attraction_bond_energy(bond, w_energy);
// END modifications to data structure!
return TS_SUCCESS;
}
--
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