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Tadah
MODELS
Commits
405790f7
Commit
405790f7
authored
1 year ago
by
mkirsz
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m_base.h
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aabf7039
#ifndef M_BASE_H
#define M_BASE_H
#include
"../LIBS/Eigen/Dense"
#include
"../CORE/typedefs.h"
#include
"functions/function_base.h"
class
M_Base
{
public:
//Normaliser norm; // TODO?
virtual
~
M_Base
()
{};
//
// /** \brief Predict local energy of an atom or bond energy.
// *
// * The result depends on how aed is computed.
// *
// * If it is computed between a pair of atoms than the result is a bond energy.
// *
// * If aed contains sum over all nearest neighbours than the result is
// * a local atomic energy \f$ E_i \f$.
// * */
// virtual double epredict(const aed_rctype &aed)=0;
//
// /** \brief Predict force between a pair of atoms in a k-direction. */
// virtual double fpredict(const fd_type &fdij, const aed_rctype &aedi, size_t k)=0;
//
// /** \brief Predict force between a pair of atoms. */
// virtual force_type fpredict(const fd_type &fdij,
// const aed_rctype &aedi)=0;
};
//template<> inline Registry<M_Base,Function_Base&,Config&>::Map Registry<M_Base,Function_Base&,Config&>::registry{};
#endif
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