epraya.Betaparal#
- Betaparal(args)#
Wrap function for the parallel calculation of the hamiltonian energies and eigenvectors as well as the resonant fields and intensities of the spectrum for multisystems.
- Parameters:
nx (np.array) – Vectors (points in the grid) to consider in the calculation of the spectrum in the x direction.
ny (np.array) – Vectors (points in the grid) to consider in the calculation of the spectrum in the y direction.
nz (np.array) – Vectors (points in the grid) to consider in the calculation of the spectrum in the z direction.
Blist1 (np.array) – Magnetic field values that are evaluated to find the resonant fields.
Blist2 (np.array) – Magnetic field values that are interpolate to produce the spectrum.
h1 (np.array) – Matrix of the hamiltonian including all not Zeeman interactions.
hzex (np.array) – Matrix of the x axis Zeeman interaction.
hzey (np.array) – Matrix of the y axis Zeeman interaction.
hzez (np.array) – Matrix of the z axis Zeeman interaction.
dim (float) – Dimension of the total hamiltonian matrix.
Freq (float) – Frequency of operation of the microwave radiation in GHz.
Tem (float) – Temperature of the system.
isx (np.array) – Pauli matrix of the total spin (electronic, nuclear spin and angular momentum) contribution in the x direction.
isy (np.array) – Pauli matrix of the total spin (electronic, nuclear spin and angular momentum) contribution in the y direction.
isz (np.array) – Pauli matrix of the total spin (electronic, nuclear spin and angular momentum) contribution in the z direction.
eta (float) – Percentage of the voigitan profile that corresponds to a gaussian profile, from 0 to 1.
- Returns:
resfield (np.array) – List of the resonant fields of the system.
allesint (np.array) – List of the intensity of the spectrum, evaluated in the resonant fields.