main.cpp

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/*
 * main.cpp
 *
 *  Created on: Nov 3, 2019
 *      Author: Nikhil Admal
 */
#include "MethodSphere.h"
#include <string>
#include <iostream>
#include <tuple>
#include <fstream>
#include "BoxConfiguration.h"
#include "calculateStress.h"
#include "Grid.h"
#include "typedef.h"


int main()
{
    int numberOfParticles;
    int referenceAndFinal= true;
    std::string configFileName= "config.data";
    std::string modelname= "SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002";

//  -------------------------------------------------------------------
// Input configuration and potential
//  -------------------------------------------------------------------

    std::ifstream file(configFileName);
    if(!file) MY_ERROR("ERROR: config.dat could not be opened for reading!");

    file >> numberOfParticles;
    if (numberOfParticles < 0) MY_ERROR("Error: Negative number of particles.\n");

    BoxConfiguration body{numberOfParticles,referenceAndFinal};
    body.read(configFileName,referenceAndFinal);

    Kim kim(modelname);

//  -------------------------------------------------------------------
// Create grid
//  -------------------------------------------------------------------
    int ngrid;
    ngrid= 90601;
    Grid<Current> gridFromFile(ngrid);
    gridFromFile.read("grid_cauchy.data");


//  -------------------------------------------------------------------
// Calculate stress on the grid
//  -------------------------------------------------------------------
    // Create hardyStress object

    // Hardy stress
    MethodSphere hardy5(5,"hardy");
    MethodSphere hardy10(10,"hardy");
    MethodSphere hardy15(15,"hardy");
    MethodSphere hardy20(20,"hardy");

    Stress<MethodSphere,Cauchy> hardyStress5("hardy5",hardy5,&gridFromFile);
    Stress<MethodSphere,Cauchy> hardyStress10("hardy10",hardy10,&gridFromFile);
    Stress<MethodSphere,Cauchy> hardyStress15("hardy15",hardy15,&gridFromFile);
    Stress<MethodSphere,Cauchy> hardyStress20("hardy20",hardy20,&gridFromFile);

    calculateStress(body,kim,
                    std::tie(),
                    std::tie(hardyStress5,hardyStress10,hardyStress15,hardyStress20));
    hardyStress5.write();
    hardyStress10.write();
    hardyStress15.write();
    hardyStress20.write();


    return 0;
}