Mantid
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Namespaces | Functions
CrystalElectricField.h File Reference
#include "MantidCurveFitting/DllConfig.h"
#include "MantidCurveFitting/EigenFortranDefs.h"

Go to the source code of this file.

Namespaces

namespace  Mantid
 Helper class which provides the Collimation Length for SANS instruments.
 
namespace  Mantid::CurveFitting
 
namespace  Mantid::CurveFitting::Functions
 

Functions

void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateEigensystem (DoubleFortranVector &eigenvalues, ComplexFortranMatrix &eigenvectors, ComplexFortranMatrix &hamiltonian, ComplexFortranMatrix &hzeeman, int nre, const DoubleFortranVector &bmol, const DoubleFortranVector &bext, const ComplexFortranMatrix &bkq, double alpha_euler, double beta_euler, double gamma_euler)
 Calculate eigenvalues and eigenvectors of the crystal field hamiltonian. More...
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateEigensystem (DoubleFortranVector &eigenvalues, ComplexFortranMatrix &eigenvectors, ComplexFortranMatrix &hamiltonian, int nre, const DoubleFortranVector &bmol, const DoubleFortranVector &bext, const ComplexFortranMatrix &bkq, double alpha_euler=0.0, double beta_euler=0.0, double gamma_euler=0.0)
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateExcitations (const DoubleFortranVector &e_energies, const DoubleFortranMatrix &i_energies, double de, double di, DoubleFortranVector &e_excitations, DoubleFortranVector &i_excitations)
 Calculate the excitations (transition energies) and their intensities. More...
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateIntensities (int nre, const DoubleFortranVector &energies, const ComplexFortranMatrix &wavefunctions, double temperature, double de, IntFortranVector &degeneration, DoubleFortranVector &e_energies, DoubleFortranMatrix &i_energies)
 Calculate the intensities of transitions. More...
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateMagneticMoment (const ComplexFortranMatrix &ev, const DoubleFortranVector &Hdir, const int nre, DoubleFortranVector &moment)
 Calculate the diagonal matrix elements of the magnetic moment operator in a particular eigenvector basis. More...
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateMagneticMomentMatrix (const ComplexFortranMatrix &ev, const std::vector< double > &Hdir, const int nre, ComplexFortranMatrix &mumat)
 Calculate the full magnetic moment matrix in a particular eigenvector basis. More...
 
void MANTID_CURVEFITTING_DLL Mantid::CurveFitting::Functions::calculateZeemanEigensystem (DoubleFortranVector &eigenvalues, ComplexFortranMatrix &eigenvectors, const ComplexFortranMatrix &hamiltonian, int nre, const DoubleFortranVector &bext)
 Calculates the eigenvalues/vectors of a crystal field Hamiltonian in a specified external magnetic field. More...