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General |
easyspininfo | Information about EasySpin installation |
eprload | Read spectrum files in common EPR data formats |
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Spectral simulations |
garlic | Isotropic and fast-motion cw EPR spectra |
chili | Slow-motion cw EPR spectra |
pepper | Solid-state cw EPR spectra |
salt | ENDOR spectra |
nucfrq2d | Sketch of HYSCORE spectra |
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Utilities |
eprconvert | Graphical frequency/field/g value conversion utility |
fastmotion | Fast-motion regime line width parameters from rotational correlation time. |
isotopes | A browsable list of isotopes |
mhz2mt | Unit conversion from MHz to mT |
mt2mhz | Unit conversion from mT to MHz |
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Spin systems |
nucspinadd | Adds a nuclear spin to a spin system |
nucspinrmv | Removes a nuclear spin from a spin system |
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Data analysis |
basecorr | Polynomial baseline correction |
ctafft | Cross-term averaged FFT |
deriv | Numerical differentiation |
exponfit | Exponential fitting |
fdaxis | Frequency domain axis for FFT |
pseumod | Pseudo-modulation of EPR absorption spectra |
rcfilt | RC filtering of EPR spectra |
smooth | Moving averages: smoothing and differentiation |
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Vectors, orientations and angles |
ang2vec | Converts polar angles to cartesian unit vector |
erot | Computes rotation matrix from Euler angles |
eulang | Euler angles from rotation matrix |
rotaxi2mat | Convert rotation axis plus angle to rotation matrix |
rotmat2axi | Convert rotation matrix to rotation axis plus angle |
vec2ang | Polar angles from cartesian unit vector |
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Line shapes and windows |
apowin | Apodization windows. |
convspec | Convolute spectrum with line shape |
gaussian | Gaussian line shape |
lorentzian | Lorentzian line shape | |
lshape | General line shape function |
makespec | Construct spectrum from peak positions and amplitudes |
voigtian | Voigtian line shape function |
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Physical constants |
nucabund | Natural abundance of nuclear isotopes |
nucdata | Nuclear spin data |
nucgval | Nuclear g values |
nucqmom | Nuclear electric quadrupole moments |
nucspin | Nuclear spin quantum numbers |
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amu | Atomic unit of mass |
angstrom | Molecular-scale length unit |
avogadro | Avogadro constant |
barn | Conventional unit of nuclear quadupole moments |
bmagn | Bohr magneton |
bohrrad | Bohr radius |
boltzm | Boltzmann constant |
clight | Vacuum speed of light |
echarge | Elementary electric charge |
emass | Mass of electron |
faraday | Faraday constant |
gfree | g value of the free electron |
hartree | Atomic unit of energy |
molgas | Molar gas constant |
nmagn | Nuclear magneton |
nmass | Mass of neutron |
planck | Planck constant |
pmass | Mass of proton |
rydberg | Rydberg constant |
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Basic spin physics |
commute | Commutator of two matrices |
equivcouple | Coupling of equivalent spins |
equivsplit | Splitting pattern for equivalent spins |
hsdim | State space dimension of a spin system |
larmorfrq | Larmor frequency of nuclear spins |
sop | Spin operator matrices |
spinvec | Spin quantum numbers in a spin system |
stev | Extended Stevens operator matrices |
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Angular momentum |
clebschgordan | Clebsch-Gordan coefficients |
plegendre | Legendre polynomials and Associated Legendre polynomials |
spherharm | Spherical harmonics |
wigner3j | Wigner 3-j symbols |
wigner6j | Wigner 6-j symbols |
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Energy levels, resonances and propagations |
eigfields | Resonance fields using eigenfield equation |
endorfrq | ENDOR frequencies and amplitudes |
evolve | Evolves density matrices in time-domain |
levels | Energy levels computation |
levelsplot | Energy levels and resonances plot |
orisel | Orientation selection |
propint | Compute pulse propagator |
resfields | General resonance fields and amplitudes |
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Orientations |
sphgrid | Triangular orientational grids |
sphrand | Random orientational grids |
sphtri | Triangulation of orientational grids |
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Hamiltonians and densities |
eeint | Electron-electron interaction Hamiltonian |
hfine | Hyperfine interaction Hamiltonian |
internal | Internal interactions Hamiltonian |
nquad | Nuclear quadrupole interaction Hamiltonian |
sham | Full Spin Hamiltonian |
sigeq | Thermal equilibrium density matrix |
symm | Symmetry determination for Spin Hamiltonians |
zeeman | Zeeman Hamiltonian |
zfield | Electronic zero field interaction Hamiltonian |