Difference between revisions of "Rotor stack.m"
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{{DISPLAYTITLE:rotor_stack.m}} __NOTOC__ | {{DISPLAYTITLE:rotor_stack.m}} __NOTOC__ | ||
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Returns a rotor stack of Liouvillians or Hamiltonians. The stack is needed for the traditional style calculation of MAS dynamics. | Returns a rotor stack of Liouvillians or Hamiltonians. The stack is needed for the traditional style calculation of MAS dynamics. | ||
==Syntax== | ==Syntax== | ||
| − | + | L=rotor_stack(spin_system,parameters,assumptions) | |
| − | == | + | ==Parameters== |
| − | parameters.axis - spinning axis, given as a normalized | + | parameters.axis - spinning axis, given as a normalized |
3-element vector | 3-element vector | ||
| Line 53: | Line 52: | ||
==Outputs== | ==Outputs== | ||
| − | L - a cell array of Hamiltonian or Liouvillian matrices, | + | L - a cell array of Hamiltonian or Liouvillian matrices, |
one for each tick of the rotor. | one for each tick of the rotor. | ||
| Line 59: | Line 58: | ||
==Notes== | ==Notes== | ||
| − | |||
Relaxation and kinetics are not included. See the notes on [[rotation conventions]] for the basic definitions of rotations in ''Spinach''. | Relaxation and kinetics are not included. See the notes on [[rotation conventions]] for the basic definitions of rotations in ''Spinach''. | ||
==See also== | ==See also== | ||
| − | + | [[singlerot.m]], [[doublerot.m]], [[powder.m]], [[assume.m]], [[anax2dcm.m]], [[anax2quat.m]], [[axis_tsymm.m]], [[dcm2euler.m]], [[dcm2wigner.m]], [[euler2dcm.m]], [[euler_sup.m]], [[quat2anax.m]], [[rotmat_align.m]], [[wigner.m]], [[xyz2sph.m]], [[Kernel_utilities]] | |
| − | [[singlerot.m]], [[doublerot.m]], [[powder.m]] | ||
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''Version 2.1, authors: [[Ilya Kuprov]]'' | ''Version 2.1, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:41, 6 June 2026
Returns a rotor stack of Liouvillians or Hamiltonians. The stack is needed for the traditional style calculation of MAS dynamics.
Syntax
L=rotor_stack(spin_system,parameters,assumptions)
Parameters
parameters.axis - spinning axis, given as a normalized
3-element vector
parameters.offset - a cell array giving transmitter off-
sets in Hz on each of the spins listed
in parameters.spins array
parameters.spins - a cell array giving the spins that
the offsets refer to, e.g. {'1H','13C'}
parameters.max_rank - maximum harmonic rank to retain in
the solution (increase till conver-
gence is achieved, approximately
equal to the number of spinning si-
debands in the spectrum)
parameters.rframes - rotating frame specification, e.g.
{{'13C',2},{'14N,3}} requests second
order rotating frame transformation
with respect to carbon-13 and third
order rotating frame transformation
with respect to nitrogen-14. When
this option is used, the assumptions
on the respective spins should be
laboratory frame.
parameters.orientation - the orientation of the spin system
at rotor phase zero, a vector of
three Euler angles in radians.
parameters.masframe - the frame in which the rotations
are applied. The possibilities are:
'magnet' - the initial orientation in the lab frame
(three-angle powder grids will be required)
'rotor' - the initial orientation in the rotor frame
(two-angle powder grids will be required)
assumptions - assumption set to be used in generating the
Hamiltonian, see assume.m
Outputs
L - a cell array of Hamiltonian or Liouvillian matrices,
one for each tick of the rotor.
rotor_phases - rotor phases at each tick, radians
Notes
Relaxation and kinetics are not included. See the notes on rotation conventions for the basic definitions of rotations in Spinach.
See also
singlerot.m, doublerot.m, powder.m, assume.m, anax2dcm.m, anax2quat.m, axis_tsymm.m, dcm2euler.m, dcm2wigner.m, euler2dcm.m, euler_sup.m, quat2anax.m, rotmat_align.m, wigner.m, xyz2sph.m, Kernel_utilities
Version 2.1, authors: Ilya Kuprov
