From 632960fbf1ebde72860966058354f7a6b61f5267 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Thu, 10 Apr 2014 09:35:04 +0000 Subject: [PATCH] Added possibility to skip calculations of spherical harmonics. Fixed documentation in triangle.c. --- src/energy.c | 4 +++- 1 files changed, 3 insertions(+), 1 deletions(-) diff --git a/src/energy.c b/src/energy.c index 1e37e08..440f319 100644 --- a/src/energy.c +++ b/src/energy.c @@ -21,7 +21,9 @@ inline ts_bool bond_energy(ts_bond *bond,ts_poly *poly){ - bond->energy=poly->k*pow(bond->bond_length-1,2); +//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; }; -- Gitblit v1.9.3