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utilities:awk_scripts [2018/01/05 09:45] – created danielutilities:awk_scripts [2018/09/23 01:20] (current) – ↷ Links adapted because of a move operation 178.159.37.155
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 ~~NOTOC~~ ~~NOTOC~~
-====== Utilities / Awk scripts ======+====== Awk scripts ======
 ---- ----
  
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 ''<potential>'' is a LAMMPS [[http://lammps.sandia.gov/doc/pair_eam.html|eam/alloy]] potential. ''<potential>'' is a LAMMPS [[http://lammps.sandia.gov/doc/pair_eam.html|eam/alloy]] potential.
-Command writes a //potfit// tabulated [[EAM|EAM potential files]] [[Potential files#Format_3|(type 3)]]+Command writes a //potfit// tabulated [[interactions:eam|EAM potential files]] [[potfiles:main#Format_3|(type 3)]]
 to standard output. Atom types are sorted alphabetically.  to standard output. Atom types are sorted alphabetically. 
  
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 [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] format (sampling points equidistant in //r<sup>2</sup>// [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] format (sampling points equidistant in //r<sup>2</sup>//
 by using //potfit// potentials type 3 as an intermediate stage. A //potfit// run with ''opt=0'' can be  by using //potfit// potentials type 3 as an intermediate stage. A //potfit// run with ''opt=0'' can be 
-used to convert the potential to [[IMD]] format, controlled  by the [[IMD|imd_file]] and ''imdpotsteps'' +used to convert the potential to [[:IMD]] format, controlled  by the [[:IMD|imd_file]] and ''imdpotsteps'' 
 parameters. parameters.
  
utilities/awk_scripts.1515141933.txt.gz · Last modified: 2018/01/05 09:45 by daniel