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CrystalFieldMoment.h
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CrystalFieldMoment.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2016 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/IFunction1D.h"
#include "MantidCurveFitting/EigenFortranDefs.h"
#include "MantidCurveFitting/Functions/CrystalFieldPeaksBase.h"
namespace Mantid {
namespace CurveFitting {
namespace Functions {
/**
CrystalFieldMoment is a function that calculates the induced
magnetic moment (in bohr magnetons per ion, Am^2 or erg/Gauss) at some
applied external magnetic field (in Tesla or Gauss) as a function of
temperature (in Kelvin) for a particular crystal field splitting.
*/
class CrystalFieldMomentBase : public API::IFunction1D {
public:
CrystalFieldMomentBase();
void function1D(double *out, const double *xValues, const size_t nData) const override;
protected:
mutable ComplexFortranMatrix m_ham;
mutable int m_nre;
};
class MANTID_CURVEFITTING_DLL CrystalFieldMoment : public CrystalFieldPeaksBase, public CrystalFieldMomentBase {
public:
CrystalFieldMoment();
std::string name() const override { return "CrystalFieldMoment"; }
const std::string category() const override { return "General"; }
void setHamiltonian(const ComplexFortranMatrix &ham, const int nre);
void function1D(double *out, const double *xValues, const size_t nData) const override;
private:
bool m_setDirect;
};
class MANTID_CURVEFITTING_DLL CrystalFieldMomentCalculation : public API::ParamFunction, public CrystalFieldMomentBase {
public:
CrystalFieldMomentCalculation();
std::string name() const override { return "mt"; }
const std::string category() const override { return "General"; }
void setHamiltonian(const ComplexFortranMatrix &ham, const int nre);
};
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid