public void Compute(Universe.Dihedral dihedral, Vector[] coords, ref double energy, ref Vector[] forces, ref MatrixByArr[,] hessian, double[,] pwfrc = null, double[,] pwspr = null)
{
//double Kchi = dihedral.param.Kchi ;
//double n = dihedral.param.n ;
//double delta = dihedral.param.delta;
//MindyDihedral.Compute(coords, ref energy, ref forces, ref hessian, Kchi, n, delta);
}
public virtual void Compute(Universe.Dihedral dihedral, Vector[] coords, ref double energy, ref Vector[] forces, ref MatrixByArr[,] hessian, double[,] pwfrc = null, double[,] pwspr = null)
{
double Kchi = dihedral.Kchi;
double n = dihedral.n;
double delta = dihedral.delta;
Compute(coords, ref energy, ref forces, ref hessian, Kchi, n, delta, pwfrc, pwspr);
}