Difference between revisions of "Conmat.m"
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[[dipolar.m]], [[xyz2hfc.m]] | [[dipolar.m]], [[xyz2hfc.m]] | ||
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''Version 2.1, authors: [[Ilya Kuprov]]'' | ''Version 2.1, authors: [[Ilya Kuprov]]'' | ||
Revision as of 12:24, 25 April 2026
Molecular connectivity matrix calculator with N*log(N) asymptotic complexity scaling with respect to the number or atoms.
Contents
Syntax
conmatrix=conmat(xyz,r0)
Arguments
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
Version 2.1, authors: Ilya Kuprov
