EasySpin

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chili: Lanczos not converging

1

```matlab clc, clear Sys.Nucs = '14N'; Sys.A = [22.15 16.8 105.8]; Sys.lw = [0.156 0]; Sys.Diff = [2.25e9 2.3e10 2.25e9]; Sys.DiffFrame = [0 50 0]*pi/180; Exp.Range = [332.5 342.5]; Exp.mwFreq...

stestoll

This could be useful for high-field EPR of Mn(II).

stestoll

garlic: implement support for systems with two coupled spins

1

This is an occasionally requested feature. `garlic` currently does not support spin systems with more than one electron spin. If all lines have identical widths, then one can use `pepper`...

stestoll

See discussion in PR https://github.com/StollLab/EasySpin/pull/211. `blochsteady` by default returns an off number of points over the half-open interval [0,Tperiod). However, `rapidscan2epr` needs an even number of points to be able...

stestoll

pepper: Davidson diagonalization

1

Implement sparse diagonalization techniques to limit pepper etc to the lowest M energy levels in a system with N levels; M

stestoll

saffron: orientation selection incorrect for intermediate coupling

1

Mims ENDOR (and other pulse methods) fail if the subdivision into strongly coupled nuclei (A) and weakly coupled nuclei (B) with the assumption that A contributes only to orientation selection...

stestoll

This symmetry is based on Eq. (A47) in the 1982 Meirovitch paper. Right now, it is implemented in the fast code only. Implement it in the general code as well.

stestoll

generate mex files on build

2

The platform (Windows, Unix, MacOS) dependent `mex` files need to be compiled manually every time their source code is changed. Is there a way to automatize it? 1. On every...

spribitzer

This is hard to do in `chili`, but should be simple in `cardamom`. See #43 for an application case.

stestoll

Include a way to specify the inversion pulse length and use it to calculate the excitation profile for Davies ENDOR spectra.

stestoll