From 9f2ad693eae7abbd0b4f93db9a76caecf79a759a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 24 Apr 2014 14:02:47 +0000
Subject: [PATCH] Kc calculation seems to work. Performance issues persists.
---
src/energy.c | 11 ++++++++---
1 files changed, 8 insertions(+), 3 deletions(-)
diff --git a/src/energy.c b/src/energy.c
index 3b1779c..440f319 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -19,9 +19,14 @@
return TS_SUCCESS;
}
-inline ts_bool energy_poly_vertex(ts_vertex *vtx,ts_poly *poly){
-
-}
+
+inline ts_bool bond_energy(ts_bond *bond,ts_poly *poly){
+//TODO: This value to be changed and implemented in data structure:
+ ts_double d_relaxed=1.0;
+ bond->energy=poly->k*pow(bond->bond_length-d_relaxed,2);
+ return TS_SUCCESS;
+};
+
inline ts_bool energy_vertex(ts_vertex *vtx){
// ts_vertex *vtx=&vlist->vertex[n]-1; // Caution! 0 Indexed value!
--
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