From fedf2b217113800a15f367e111e2dbcad4a3c92c Mon Sep 17 00:00:00 2001
From: Miha <mihaf@hapi.(none)>
Date: Thu, 06 Feb 2014 17:39:37 +0000
Subject: [PATCH] Polymers thermicaly move now! HArmonic potential added.
---
src/triangle.c | 15 +++++++++++++++
1 files changed, 15 insertions(+), 0 deletions(-)
diff --git a/src/triangle.c b/src/triangle.c
index bcd074b..dc53487 100644
--- a/src/triangle.c
+++ b/src/triangle.c
@@ -147,11 +147,13 @@
//fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3);
}
tria->neigh_no--;
+// fprintf(stderr,"*** tria_number=%d\n",tria->neigh_no);
tria->neigh=(ts_triangle **)realloc(tria->neigh,tria->neigh_no*sizeof(ts_triangle *));
if(tria->neigh == NULL){
fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100);
}
/* we repeat the procedure for neighbour */
+ j=0;
for(i=0;i<ntria->neigh_no;i++){
if(ntria->neigh[i]!=tria){
ntria->neigh[j]=ntria->neigh[i];
@@ -163,6 +165,7 @@
//fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3);
}
ntria->neigh_no--;
+// fprintf(stderr,"*** ntria_number=%d\n",ntria->neigh_no);
ntria->neigh=(ts_triangle **)realloc(ntria->neigh,ntria->neigh_no*sizeof(ts_triangle *));
if(ntria->neigh == NULL){
fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100);
@@ -219,6 +222,18 @@
tria->xnorm=tria->xnorm/xden;
tria->ynorm=tria->ynorm/xden;
tria->znorm=tria->znorm/xden;
+
+/* Here it is an excellent point to recalculate volume of the triangle and
+ * store it into datastructure. Volume is required at least by constant volume
+ * calculation of vertex move and bondflip and spherical harmonics. */
+ tria->volume=(tria->vertex[0]->x+ tria->vertex[1]->x + tria->vertex[2]->x) * tria->xnorm +
+ (tria->vertex[0]->y+ tria->vertex[1]->y + tria->vertex[2]->y) * tria->ynorm +
+ (tria->vertex[0]->z+ tria->vertex[1]->z + tria->vertex[2]->z) * tria->znorm;
+ tria->volume=-xden*tria->volume/18.0;
+/* Also, area can be calculated in each triangle */
+ tria->area=xden/2;
+
+
return TS_SUCCESS;
}
--
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