10 #ifndef __RD_FFCONTRIB_H__ 11 #define __RD_FFCONTRIB_H__ 25 virtual double getEnergy(
double *pos)
const = 0;
28 virtual void getGrad(
double *pos,
double *grad)
const = 0;
abstract base class for contributions to ForceFields
virtual double getEnergy(double *pos) const =0
returns our contribution to the energy of a position
ForceField * dp_forceField
our owning ForceField
virtual ForceFieldContrib * copy() const =0
return a copy
A class to store forcefields and handle minimization.
virtual ~ForceFieldContrib()
virtual void getGrad(double *pos, double *grad) const =0
calculates our contribution to the gradients of a position