Class LowestEigPotential#
Defined in File lowest_eig_potential.hpp
Inheritance Relationships#
Base Type#
public pele::BasePotential(Class BasePotential)
Class Documentation#
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class LowestEigPotential : public pele::BasePotential#
Public Functions
- std::shared_ptr<pele::BasePotential> potential,
- pele::Array<double> coords,
- size_t bdim,
- double d = 1e-6
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inline virtual ~LowestEigPotential()#
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inline virtual double get_energy(pele::Array<double> const &x)#
Return the energy of configuration x.
This is the only function which must be overloaded
- inline virtual double get_energy_gradient( )#
compute the energy and gradient.
If not overloaded it will compute the numerical gradient