Monocristal samples

Includes the functions for monocristal samples simulation (one fixed orientation), with the implementation of the Stoll Easyspin method for the resonant fields determination. Also includes the energy diagrams generator function.

Many of the functions have the same names that the powder samples’ ones, however their implementation differs, because only one orientation is calculated.

Intensity and resonant fields functions

Name	Description
epraya.Eresonant	Function for the simulation of the EPR spectrum for monocrystal samples.
epraya.Plotsim	Function to produce the graph of the spectrum and the energy diagram for monocrystal samples.
epraya.Cristalfm	Function for the calculation of the spectrum of monocristals without producing the graphs.
epraya.Music	Wrap function that calculates the spectrum and table of transitions of multisystems.

Eigen values and vectors functions

Name	Description
epraya.EAdaptarray	Finds the energy values and eigenvectors of the total hamiltonian.
epraya.EHungorder	Solves the assigment problem with the J-V method implemented in Scipy for the eigenvectors and energy values.
epraya.ERetrack	Relates the energy values and eigenvectors to the quantum numbers of the system.
epraya.Mulgetlabel	Creates the state ket for the energy level, using the quantum numbers.