Difference between revisions of "Tsm2param.m"
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==Outputs== | ==Outputs== | ||
| − | ax - axiality, | + | ax - axiality, Mehring order of eigenvalues |
| − | rh - rhombicity, | + | rh - rhombicity, Mehring order of eigenvalues |
angles - Euler angles (one of the eight equivalent | angles - Euler angles (one of the eight equivalent | ||
| Line 21: | Line 21: | ||
==Notes== | ==Notes== | ||
| − | + | Mehring convention has Z as the largest eigenvalue, and X as the smallest eigenvalue, this includes signs. | |
==See also== | ==See also== | ||
[[mat2axrh.m]], [[axrh2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]], [[spsk2mat.m]], [[zfs2mat.m]], [[ang2cgsppm.m]], [[castep2nqi.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[eeqq2nqi.m]], [[frac2cart.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[xyz2dd.m]], [[Kernel_utilities]] | [[mat2axrh.m]], [[axrh2mat.m]], [[anas2mat.m]], [[mat2sphten.m]], [[sphten2mat.m]], [[spsk2mat.m]], [[zfs2mat.m]], [[ang2cgsppm.m]], [[castep2nqi.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[eeqq2nqi.m]], [[frac2cart.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[xyz2dd.m]], [[Kernel_utilities]] | ||
| − | ''Version 2.2, authors: [[Ilya Kuprov]]'' | + | ''Version 2.2, authors: [[Elizaveta Suturina]], [[Ilya Kuprov]]'' |
Latest revision as of 08:34, 30 August 2026
Attempts to convert a traceless symmetric 3x3 interaction matrix into axiality, rhombicity and three Euler angles. The transformation is unstable and should be avoided if at all possible: it is always best to just publish the 3x3 matrix as recommended by IUPAC.
Syntax
[ax,rh,angles]=tsm2param(M)
Parameters
M - 3x3 matrix or its five independent elements in the
order of [Mxx, Mxy, Mxz, Myy, Myz]
Outputs
ax - axiality, Mehring order of eigenvalues
rh - rhombicity, Mehring order of eigenvalues
angles - Euler angles (one of the eight equivalent
sets), radians
Notes
Mehring convention has Z as the largest eigenvalue, and X as the smallest eigenvalue, this includes signs.
See also
mat2axrh.m, axrh2mat.m, anas2mat.m, mat2sphten.m, sphten2mat.m, spsk2mat.m, zfs2mat.m, ang2cgsppm.m, castep2nqi.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, eeqq2nqi.m, frac2cart.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, xyz2dd.m, Kernel_utilities
Version 2.2, authors: Elizaveta Suturina, Ilya Kuprov
