Changes from release to release
From 2.5.0 to 2.5.1
Major changes and bugfixes
- Speedup for chili.
- Bug fixes in chili
and garlic: scaling of correlation time.
- Bug fixes in eprload: sometimes wrong abscissa vectors.
From 2.2.0 to 2.5.0
Major new features
-
Simulation of cw EPR spectra in the slow-motional regime with
chili.
-
Simulation of cw EPR spectra in the fast-motional regime with
garlic.
-
Two new functions: plegendre
for Legendre polynomials and associated Legendre polynomials, and
spherharm for spherical and
tesseral harmonics.
-
Two new functions to convert between rotation axis/angle and rotation matrix:
rotaxi2mat and
rotmat2axi.
-
Two new functions to convert between mT and MHz:
mt2mhz and
mhz2mt.
Major changes and bugfixes
-
Magnetic field ranges can be specified either by the center field
and the sweep range (in the field
CenterSweep) or by
the minimum and the maximum (in the field Range).
-
All EPR simulation functions can automatically determine the magnetic field range.
-
All simulation functions plot the simulated spectrum, if no output arguments are requested.
- Bug fixes: Non-equilibrium populations in pepper
and resfields.
From 2.1.1 to 2.2.0
Major new features
-
pepper can now treat nuclei with small
hyperfine couplings perturbationally, resulting in much better performance for
systems with many nuclei.
-
pepper and
salt
can now simulate spectra of paramagnetic species oriented in
the nematic phase of liquid crystals.
- Exponential fitting with exponfit.
-
makespec constructs a stick
spectrum from a list of peak positions and amplitudes.
- Functions to add/remove spins from a spin sytem:
nucspinadd and
nucspinrmv.
-
Nuclear quadrupole moments and abundance data now availabe in
isotopes, accessible via
nucqmom and
nucabund.
barn gives the unit of quadrupole moments.
- Support for angular momentum algebra:
clebschgordan,
wigner3j and
wigner6j.
Major changes
- The solution EPR simulation function garlic now computes resonance fields
using analytical equations rather than perturbation theory formulas.
-
sop can now compute multiple spin matrices
with a single call.
-
New input syntax for orisel.
-
stev can now
compute extended Stevens operators for arbitrary k and q.
-
erot and
eulang now accept/return Euler angles
optionally as three separate arguments.
-
eulang now computes Euler angles from a
rotation matrix by least-squares fitting, not via analytical expressions.
From 2.1.0 to 2.1.1
- Fixed errors in nuclear isotope database.
- Fixed negative intensity problem in pepper.
- Fixed salt bug resulting in large screen output.
From 2.0 to 2.1.0
From 1.3.1 to 2.0
- Many examples available on EasySpin web site.
- Support for spin systems with an arbitrary number of electron spins.
resfields and pepper use a new and very
robust algorithm for cw resonance field computation.
pepper and salt support isotropic and
single-crystal spectra computation.
- More physical constants, with values and uncertainties.
eprload reads in the parameter file in addition to the data file.
- New functions:
easyspin, levelsplot, apowin, voigtian, basecorr.
- More flexible
ctafft.
- Many bug fixes.
From 1.3 to 1.3.1
- Improved, clarified and corrected documentation, supplemented with many formulas.
- Strict input checking for many functions.
- Many bug fixes.
From 1.2 to 1.3
- New functions:
propint, convspec.
- MATLAB version requirements downgraded from 6.1 to 6.0
- If any function with required arguments is called without arguments,
the help for this function is displayed.
From 1.1 to 1.2
resbef renamed to eigfields and
substantially extended in functionality.
-
eulang restrictions relaxed, it now works for
matrices with determinant slightly different from 1.
sop obtains a new and simplified syntax!
- Many bugs fixed.
From 1.0 to 1.1
- Nuclear spin database added. New functions
nucdata, nucgval
and nucspin.
- Parameter order of
evolve has changed.
- For the functions
pepper and salt the option parameters
Width and Convolution have been eliminated.
- In the spin system specification,
flw has been renamed to HStrain.
resfields and pepper now explicitly exclude NMR transitions.
salt errors if orientation selection is too strong or the number
of knots is not sufficient for reliable results.
- A few EasySpin examples have been added to the package.
- Many bug fixes.