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lammps/lib/atc/ElectronHeatCapacity.h
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ElectronHeatCapacity.h
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#ifndef ELECTRON_HEAT_CAPACITY_H
#define ELECTRON_HEAT_CAPACITY_H
#include <map>
#include <string>
using std::map;
using std::string;
#include "MatrixLibrary.h"
#include "ATC_TypeDefs.h"
namespace ATC {
class ElectronHeatCapacity
{
public:
ElectronHeatCapacity() {};
virtual ~ElectronHeatCapacity() {};
/** computes heat capacity */
virtual void electron_heat_capacity(const FIELDS &fields,
FIELD &capacity)=0;
/** computes thermal energy */
virtual void electron_thermal_energy(const FIELDS &fields,
FIELD &energy)=0;
};
//-------------------------------------------------------------------
class ElectronHeatCapacityConstant : public ElectronHeatCapacity
{
public:
ElectronHeatCapacityConstant(fstream &matfile,
map<string,double> & parameters);
virtual ~ElectronHeatCapacityConstant() {};
virtual void electron_heat_capacity(const FIELDS &fields,
FIELD &capacity)
{
const FIELD & T = (fields.find(ELECTRON_TEMPERATURE))->second;
capacity.reset(T.nRows(),T.nCols());
capacity = electronHeatCapacity_;
};
virtual void electron_thermal_energy(const FIELDS &fields,
FIELD &energy)
{
const FIELD & T = (fields.find(ELECTRON_TEMPERATURE))->second;
energy = electronHeatCapacity_ * T;
};
protected:
double electronHeatCapacity_;
};
//-------------------------------------------------------------------
class ElectronHeatCapacityLinear : public ElectronHeatCapacity
{
public:
ElectronHeatCapacityLinear(fstream &matfile,
map<string,double> & parameters);
virtual ~ElectronHeatCapacityLinear() {};
virtual void electron_heat_capacity(const FIELDS &fields,
FIELD &capacity)
{
const FIELD & T = (fields.find(ELECTRON_TEMPERATURE))->second;
capacity = electronHeatCapacity_*T;
};
virtual void electron_thermal_energy(const FIELDS &fields,
FIELD &energy)
{
const FIELD & T = (fields.find(ELECTRON_TEMPERATURE))->second;
energy = 0.5 * electronHeatCapacity_ * T;
energy *= T;
};
protected:
double electronHeatCapacity_;
};
}
#endif
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