forked from lijiext/lammps
42 lines
1.9 KiB
Plaintext
42 lines
1.9 KiB
Plaintext
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LAMMPS pre- and post-processing tools
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This directory contains several stand-alone tools for creating LAMMPS
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input files and massaging LAMMPS output data. Instructions on how to
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use the tools are discussed in the Tools section of the LAMMPS
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documentation. The source files in this directory have additional
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comments that may be useful at the top of the code. The packages that
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reside in their own sub-directories have README files of their own
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that you want to look at.
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You will need to compile each of these tools if you wish to use them.
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Building LAMMPS itself (in the src dir) does not build these tools.
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These are the included tools:
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binary2txt convert a LAMMPS dump file from binary to ASCII text
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replicate replicate a LAMMPS data file in one or more dimensions
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restart2data convert a binary restart file to an input data file
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data2xmovie convert a data file to a snapshot that xmovie can viz
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chain create a data file of bead-spring chains
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micelle2d create a data file of small lipid chains in solvent
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xmovie a quick/simple viz package that displays 2d projections
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of 3d LAMMPS snapshots
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amber2lammps python scripts for using AMBER to setup LAMMPS input
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ch2lmp convert CHARMM files to LAMMPS input
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lmp2arc convert LAMMPS output to Accelrys Insight format
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for analysis
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lmp2cfg convert LAMMPS output to CFG files that can be
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read by AtomEye visualizer
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lmp2traj convert LAMMPS output to contour, density profiles
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msi2lmp use the Accelrys Insight (nee MSI/Biosym Discover)
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code to setup LAMMPS input
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The set of tools are single C, C++, or Fortran files. A Makefile for
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building them is included in this directory, but you will have to edit
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it for the compilers and paths on your system.
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The other tools are in their own sub-directories, and each has its own
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README file on how to build and use it.
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