class EAM

Overview

EAM (Embedded Atom Method) potential with cell list neighbor finding. More…

#include <EAM.h>
 
class EAM: public eonc::Potential {
public:
    // structs
 
    struct element_parameters;
 
    // construction
 
    EAM(const eonc::Parameters& params);
    ~EAM();
 
    // methods
 
    void cleanMemory();
    void force(long N, const double* R, const int* atomicNrs, double* F, double* U, double* variance, const double* fullbox);
    bool isSharedInstanceThreadSafe() const;
};

Detailed Documentation

EAM (Embedded Atom Method) potential with cell list neighbor finding.

Methods

bool isSharedInstanceThreadSafe() const

Cell lists live on the instance; two threads cannot share one EAM.