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.