GitHub - michalplucinski/bondlistgenerator: Generates a list of bonds in a cell

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README		README
data.min		data.min
diamond		diamond
diamond.traj		diamond.traj
diamondgen.py		diamondgen.py
loopconst		loopconst
loopparallel		loopparallel
silicon		silicon
voroparallel		voroparallel

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A program that generates a list of bonds for input into a LAMMPS calculation

Installation:
make

Input:
An xsf file with the structure info

Running the Program to generate lammps input:
generator [input file] [equilibrium bond length] [multiplication factor for the input cell] [% bonds to be deleted] ["atom", "bond", or "both" being deleted] [level of deletion guide 0-6] [radius of allow deletion (0 off)] [optional: if "both" deleted, percent del for bonds]
Output in [input file].out

To process lammps output for voronoi calc:
generator data.min ["bond" or "atom" positions]
Output in bondloc.out or atomloc.out