From 3197854e89eb9ffe5ff3137e274d16806c2028a5 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Tue, 27 Jul 2021 12:51:09 +0000
Subject: [PATCH] Found one bug in the code when calculating mprod. Fixed.
---
src/bond.c | 20 +++++++++++++++++---
1 files changed, 17 insertions(+), 3 deletions(-)
diff --git a/src/bond.c b/src/bond.c
index 4d11c97..c30c488 100644
--- a/src/bond.c
+++ b/src/bond.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdlib.h>
#include "general.h"
#include "vertex.h"
@@ -38,14 +39,27 @@
ts_bool bond_vector(ts_bond *bond){
- bond->x=bond->vtx1->x-bond->vtx2->x;
- bond->y=bond->vtx1->y-bond->vtx2->y;
- bond->z=bond->vtx1->z-bond->vtx2->z;
+ bond->x = bond->vtx1->x - bond->vtx2->x;
+ bond->y = bond->vtx1->y - bond->vtx2->y;
+ bond->z = bond->vtx1->z - bond->vtx2->z;
return TS_SUCCESS;
}
+ts_bool bond_get_edge_vector(ts_double *vector, ts_bond *bond, ts_vertex *vtx){
+ if(vtx==bond->vtx2){
+ vector[0]=bond->x;
+ vector[1]=bond->y;
+ vector[2]=bond->z;
+ } else {
+ vector[0]=-bond->x;
+ vector[1]=-bond->y;
+ vector[2]=-bond->z;
+ }
+ return TS_SUCCESS;
+}
+
ts_bool bond_list_free(ts_bond_list *blist){
ts_uint i;
for(i=0;i<blist->n;i++){
--
Gitblit v1.9.3