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; };