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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...
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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) |
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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...
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void MANTID_CURVEFITTING_DLL | Mantid::CurveFitting::Functions::calculateIntensities (int nre, const DoubleFortranVector &energies, const ComplexFortranMatrix &wavefunctions, double temperature, double de, IntFortranVector °eneration, DoubleFortranVector &e_energies, DoubleFortranMatrix &i_energies) |
| Calculate the intensities of transitions. More...
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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...
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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...
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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...
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