2006-09-28 03:51:49 +08:00
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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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2007-06-23 07:41:35 +08:00
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use the tools are discussed in the "Additional Tools" section of the
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LAMMPS documentation.
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2006-09-28 03:51:49 +08:00
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2007-06-23 07:41:35 +08:00
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Tools that are single source files in this directory have additional
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comments that may be useful at the top of the source file. Tools that
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reside in their own sub-directories have README files you should look
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at.
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2006-09-28 03:51:49 +08:00
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These are the included tools:
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2008-05-17 06:12:35 +08:00
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amber2lmp python scripts for using AMBER to setup LAMMPS input
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2007-06-23 07:41:35 +08:00
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binary2txt convert a LAMMPS dump file from binary to ASCII text
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2006-09-28 03:51:49 +08:00
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ch2lmp convert CHARMM files to LAMMPS input
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2007-06-23 07:41:35 +08:00
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chain create a data file of bead-spring chains
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2010-09-03 07:38:06 +08:00
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createatoms generate lattices of atoms within a geometry
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2007-06-23 07:41:35 +08:00
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data2xmovie convert a data file to a snapshot that xmovie can viz
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2010-09-03 07:23:27 +08:00
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eam_database one tool to generate EAM alloy potential files
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eam_generate 2nd tool to generate EAM alloy potential files
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2010-09-03 07:46:27 +08:00
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eff scripts for working with the eFF (electron force field)
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ipp input pre-processor Perl tool for creating input scripts
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2006-09-28 03:51:49 +08:00
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lmp2arc convert LAMMPS output to Accelrys Insight format
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2007-06-23 07:41:35 +08:00
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lmp2cfg convert LAMMPS output to CFG files for AtomEye viz
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2008-05-16 06:33:22 +08:00
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lmp2traj convert LAMMPS output to contour, density profiles
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lmp2vmd tools for visualizing and analyzing LAMMPS data with VMD
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2008-05-17 06:12:35 +08:00
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matlab MatLab scripts for post-processing LAMMPS output
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2007-06-23 07:41:35 +08:00
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micelle2d create a data file of small lipid chains in solvent
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msi2lmp use Accelrys Insight code to setup LAMMPS input
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pymol_asphere convert LAMMPS output of ellipsoids to PyMol format
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2008-05-17 06:12:35 +08:00
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python Python scripts for post-processing LAMMPS output
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2007-06-23 07:41:35 +08:00
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restart2data convert a binary restart file to an input data file
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2008-05-17 06:12:35 +08:00
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thermo_extract C program for extracting thermo info from log file
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2008-01-04 23:22:54 +08:00
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vim add-ons to VIM editor for editing LAMMPS input scripts
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2007-06-23 07:41:35 +08:00
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xmovie a quick/simple viz package (2d projections of 3d)
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2006-09-28 03:51:49 +08:00
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2007-06-23 07:41:35 +08:00
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For tools that are single C, C++, or Fortran files, a Makefile for
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building them is included in this directory. You may need to edit it
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for the compilers and paths on your system.
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2006-09-28 03:51:49 +08:00
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2007-06-23 07:41:35 +08:00
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For tools in their own sub-directories, see their README file for info
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on how to build and use it.
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