Configuration.h

Go to the documentation of this file.

/*
 * Configuration.h
 *
 *  Created on: Nov 25, 2019
 *      Author: Nikhil
 */

#ifndef INCLUDE_MDSTRESSLAB___CONFIGURATION_H_
#define INCLUDE_MDSTRESSLAB___CONFIGURATION_H_

#include <vector>
#include <string>
#include "typedef.h"
#include <iostream>
#include <set>
#include <map>

class Configuration{
public:
    Configuration(int,int);
    virtual ~Configuration();
    int numberOfParticles;
    std::vector<std::string> species;
    std::map<ConfigType,MatrixXd> coordinates;
    MatrixXd velocities;
    Configuration* getLocalConfiguration(const std::set<int>& localParticleList) const;

protected:
    void allocate(int _numberOfParticles, int _referenceAndFinal);
};


#endif /* INCLUDE_MDSTRESSLAB___CONFIGURATION_H_ */