From 8ed8fdb663089e2bc53fd537611a6b45a09cc502 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 30 Nov 2013 16:54:34 +0000
Subject: [PATCH] Seems to solve everything until bondflip
---
src/energy.c | 18 ++++++++++--------
1 files changed, 10 insertions(+), 8 deletions(-)
diff --git a/src/energy.c b/src/energy.c
index 4d93753..a11dce8 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -28,17 +28,17 @@
ts_uint jjp,jjm;
ts_vertex *j,*jp, *jm;
ts_triangle *jt;
- ts_double s=0,xh=0,yh=0,zh=0,txn=0,tyn=0,tzn=0;
+ ts_double s=0.0,xh=0.0,yh=0.0,zh=0.0,txn=0.0,tyn=0.0,tzn=0.0;
ts_double x1,x2,x3,ctp,ctm,tot,xlen;
ts_double h,ht;
- for(jj=1; jj<=vtx->neigh_no;jj++){
+ for(jj=1; jj<=vtx->neigh->n;jj++){
jjp=jj+1;
- if(jjp>vtx->neigh_no) jjp=1;
+ if(jjp>vtx->neigh->n) jjp=1;
jjm=jj-1;
- if(jjm<1) jjm=vtx->neigh_no;
- j=vtx->neigh[jj-1];
- jp=vtx->neigh[jjp-1];
- jm=vtx->neigh[jjm-1];
+ if(jjm<1) jjm=vtx->neigh->n;
+ j=vtx->neigh->vtx[jj-1];
+ jp=vtx->neigh->vtx[jjp-1];
+ jm=vtx->neigh->vtx[jjm-1];
// printf("tristar_no=%u, neigh_no=%u, jj=%u\n",data->tristar_no,data->neigh_no,jj);
jt=vtx->tristar[jj-1];
x1=vtx_distance_sq(vtx,jp); //shouldn't be zero!
@@ -72,7 +72,9 @@
#endif
tot=ctp+ctm;
tot=0.5*tot;
+
xlen=vtx_distance_sq(j,vtx);
+/*
#ifdef TS_DOUBLE_DOUBLE
vtx->bond[jj-1]->bond_length=sqrt(xlen);
#endif
@@ -84,7 +86,7 @@
#endif
vtx->bond[jj-1]->bond_length_dual=tot*vtx->bond[jj-1]->bond_length;
-
+*/
s+=tot*xlen;
xh+=tot*(j->x - vtx->x);
yh+=tot*(j->y - vtx->y);
--
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