EasySpin functions - Category list
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General
easyspininfoInformation about EasySpin installation
easyspincompileCompile EasySpin
 
Data import and export
eprloadRead spectrum files in common EPR data formats
eprsaveSave data in Bruker EPR file format
orca2easyspinImport ORCA calculation results
 
Spectral simulations
esfitLeast-squares fitting of EPR spectra
garlicIsotropic and fast-motion cw EPR spectra
chiliSlow-motion cw EPR spectra
pepperSolid-state cw EPR spectra
saffronPulse EPR spectra
saltENDOR spectra
curryMagnetometry data
blochsteadySteady-state solutions of Bloch equations
nucfrq2dSketch of HYSCORE spectra
esfitLeast-squares fitting of EPR spectra
 
Utilities
eprconvertGraphical frequency/field/g value conversion utility
fastmotionFast-motion regime line width parameters from rotational correlation time.
isotopesA browsable list of isotopes
mhz2mtUnit conversion from MHz to mT
mt2mhzUnit conversion from mT to MHz
pulseComputes pulse functions for a series of amplitude- and phase-modulated pulses
exciteprofilePulse excitation profile calculation
rfmixerDigital up- and downconversion
resonatorfuncResonator voltage reflection coefficient
zfsframesZero-field splitting tensor frames analysis
 
Spin systems
spinladderComputes spin Hamiltonians for the manifolds of a spin-coupled pair
nucspinaddAdds a nuclear spin to a spin system
nucspinrmvRemoves a nuclear spin from a spin system
 
Data analysis
addnoiseAdd noise to a signal
basecorrPolynomial baseline correction
ctafftCross-term averaged FFT
datasmoothMoving averages: smoothing and differentiation
derivNumerical differentiation
ewrlsLeast-squares adaptive filter averaging
exponfitExponential fitting
fdaxisFrequency domain axis for FFT
fieldmodField modulation of EPR absorption spectra
rcfiltRC filtering of EPR spectra
rescaleRescale spectra
stackplotStacked plot of 1D data
 
Vectors, orientations and angles
ang2vecConverts polar angles to cartesian unit vector
degreeConversion between radians and degrees
erotComputes rotation matrix from Euler angles
eulangEuler angles from rotation matrix
rotatecrystalRotate the crystal orientation for single-crystal experiments
rotaxi2matConvert rotation axis plus angle to rotation matrix
rotmat2axiConvert rotation matrix to rotation axis plus angle
rotplaneSet of vectors/orientations in a plane
vec2angPolar angles from cartesian unit vector
 
Line shapes and windows
apowinApodization windows.
convspecConvolute spectrum with line shape
gaussianGaussian line shape
hilberttransHilbert transform
lorentzianLorentzian line shape
lshapeGeneral line shape function
makespecConstruct spectrum from peak positions and amplitudes
voigtianVoigtian line shape function
 
Physical constants
nucabundNatural abundance of nuclear isotopes
nucdataNuclear spin data
nucgvalNuclear g values
nucqmomNuclear electric quadrupole moments
nucspinNuclear spin quantum numbers
 
amuAtomic unit of mass
angstromMolecular-scale length unit
avogadroAvogadro constant
barnConventional unit of nuclear quadupole moments
bmagnBohr magneton
bohrradBohr radius
boltzmBoltzmann constant
clightVacuum speed of light
echargeElementary electric charge
emassMass of electron
eps0Electric constant, vacuum permittivity
evoltElectron volt
faradayFaraday constant
gfreeg value of the free electron
hartreeAtomic unit of energy
hbarReduced Planck constant
molgasMolar gas constant
mu0Magnetic constant, vacuum permeability
nmagnNuclear magneton
nmassMass of neutron
planckPlanck constant
pmassMass of proton
rydbergRydberg constant
 
Spin physics
cgmatrixTransformation between uncoupled and coupled representations
commuteCommutator of two matrices
equivcoupleCoupling of equivalent spins
equivsplitSplitting pattern for equivalent spins
hsdimState space dimension of a spin system
larmorfrqLarmor frequency of nuclear spins
sopSpin operator matrices
spinvecSpin quantum numbers in a spin system
stevExtended Stevens operator matrices
 
Angular momentum
clebschgordanClebsch-Gordan coefficients
plegendreLegendre polynomials and Associated Legendre polynomials
spherharmSpherical harmonics
wigner3jWigner 3-j symbols
wigner6jWigner 6-j symbols
wignerdWigner D-matrix
 
Energy levels, resonances and propagations
eigfieldsResonance fields using eigenfield equation
endorfrqENDOR frequencies and amplitudes
evolveEvolves density matrices in time-domain
levelsEnergy levels computation
levelsplotEnergy levels and resonances plot
oriselOrientation selection
propintCompute pulse propagator
resfieldsResonance fields and amplitudes, matrix diagonalization
resfields_perturbResonance fields and amplitudes, perturbation theory
resfreqs_matrixResonance frequencies and amplitudes, matrix diagonalization
resfreqs_perturbResonance frequencies and amplitudes, perturbation theory
 
Orientations
sphgridTriangular orientational grids
sphrandRandom orientational grids
sphtriTriangulation of orientational grids
 
Hamiltonians and densities
eeintElectron-electron interaction Hamiltonian
hfineHyperfine interaction Hamiltonian
nquadNuclear quadrupole interaction Hamiltonian
shamFull Spin Hamiltonian
sigeqThermal equilibrium density matrix
symmSymmetry determination for Spin Hamiltonians
zeemanZeeman Hamiltonian
zfieldElectronic zero field interaction Hamiltonian