From 384af9d04809481663a9fb350212b5e5880955aa Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 06 Jul 2020 12:13:19 +0000
Subject: [PATCH] Eigenvalues calculated wrongly
---
src/bond.c | 14 ++++++++++++++
1 files changed, 14 insertions(+), 0 deletions(-)
diff --git a/src/bond.c b/src/bond.c
index ce255ca..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"
@@ -46,6 +47,19 @@
}
+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++){
--
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