Difference between revisions of "Frac2cart.m"
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| − | Converts fractional crystallographic coordinates to Cartesian coordinates. | + | {{DISPLAYTITLE:frac2cart.m}} __NOTOC__ |
| + | Converts fractional crystallographic coordinates to Cartesian coordinates. | ||
| − | + | ==Syntax== | |
| − | Parameters | + | [XYZ,va,vb,vc]=frac2cart(a,b,c,alpha,beta,gamma,ABC) |
| + | |||
| + | ==Parameters== | ||
a,b,c - three unit cell dimensions | a,b,c - three unit cell dimensions | ||
| − | + | ||
alp,bet,gam - three unit cell angles, degrees | alp,bet,gam - three unit cell angles, degrees | ||
| − | + | ||
ABC - fractional atomic coordinates as | ABC - fractional atomic coordinates as | ||
Nx3 array of numbers | Nx3 array of numbers | ||
| − | Outputs | + | ==Outputs== |
XYZ - Cartesian atomic coordinates as | XYZ - Cartesian atomic coordinates as | ||
Nx3 array of numbers | Nx3 array of numbers | ||
| + | |||
| + | va, vb, vc - primitive lattice vectors | ||
| − | + | ==See also== | |
| + | [[xyz2sph.m]], [[c2spinach.m]], [[gparse.m]], [[oparse.m]], [[anas2mat.m]], [[ang2cgsppm.m]], [[axrh2mat.m]], [[castep2nqi.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[eeqq2nqi.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2axrh.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[spsk2mat.m]], [[tsm2param.m]], [[xyz2dd.m]], [[zfs2mat.m]], [[Kernel_utilities]] | ||
| + | |||
| + | ''Version 2.4, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:36, 6 June 2026
Converts fractional crystallographic coordinates to Cartesian coordinates.
Syntax
[XYZ,va,vb,vc]=frac2cart(a,b,c,alpha,beta,gamma,ABC)
Parameters
a,b,c - three unit cell dimensions
alp,bet,gam - three unit cell angles, degrees
ABC - fractional atomic coordinates as
Nx3 array of numbers
Outputs
XYZ - Cartesian atomic coordinates as
Nx3 array of numbers
va, vb, vc - primitive lattice vectors
See also
xyz2sph.m, c2spinach.m, gparse.m, oparse.m, anas2mat.m, ang2cgsppm.m, axrh2mat.m, castep2nqi.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, eeqq2nqi.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, xyz2dd.m, zfs2mat.m, Kernel_utilities
Version 2.4, authors: Ilya Kuprov
