conmat.m

Molecular connectivity matrix calculator with N*log(N) asymptotic complexity scaling with respect to the number or atoms.

Syntax

    conmatrix=conmat(xyz,r0)

Parameters

      xyz  - an array with N rows and three columns,
             giving the Cartesian coordinates of
             each particle

       r0  - the distance below which the particles 
             are to be considered "connected"

Outputs

 conmatrix - a sparse logical matrix containing 1
             at the positions corresponding to the 
             connected particles

See also

dipolar.m, xyz2hfc.m, anas2mat.m, ang2cgsppm.m, axrh2mat.m, castep2nqi.m, cgsppm2ang.m, dictum.m, dihedral.m, eeqq2nqi.m, frac2cart.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 2.1, authors: Ilya Kuprov