git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1178 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-11-20 15:37:16 +00:00
parent 4eb4e838ee
commit ca1c5e172e
14 changed files with 44 additions and 4 deletions

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@ -25,6 +25,9 @@ compute 1 all coord/atom 2.0 :pre
Define a computation that calculates the coordination number for each
atom in a group.
The value of the coordination number will be 0.0 for atoms not in the
specified compute group.
The coordination number is defined as the number of neighbor atoms
within the specified cutoff distance from the central atom. Atoms not
in the group are included in the coordination number of atoms in the