forked from lijiext/lammps
306f38fb8d
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| .. | ||
| amber2lmp | ||
| ch2lmp | ||
| eam_generate | ||
| lmp2arc | ||
| lmp2cfg | ||
| lmp2traj | ||
| matlab | ||
| msi2lmp | ||
| pymol_asphere | ||
| xmovie | ||
| Makefile | ||
| README | ||
| binary2txt.cpp | ||
| chain.f | ||
| data2xmovie.c | ||
| def.chain | ||
| def.chain.ab | ||
| def.micelle2d | ||
| micelle2d.f | ||
| restart2data.cpp | ||
| thermo_extract.c | ||
README
LAMMPS pre- and post-processing tools This directory contains several stand-alone tools for creating LAMMPS input files and massaging LAMMPS output data. Instructions on how to use the tools are discussed in the "Additional Tools" section of the LAMMPS documentation. Tools that are single source files in this directory have additional comments that may be useful at the top of the source file. Tools that reside in their own sub-directories have README files you should look at. These are the included tools: amber2lammps python scripts for using AMBER to setup LAMMPS input binary2txt convert a LAMMPS dump file from binary to ASCII text ch2lmp convert CHARMM files to LAMMPS input chain create a data file of bead-spring chains data2xmovie convert a data file to a snapshot that xmovie can viz lmp2arc convert LAMMPS output to Accelrys Insight format lmp2cfg convert LAMMPS output to CFG files for AtomEye viz lmp2traj convert LAMMPS output to contour, density profiles micelle2d create a data file of small lipid chains in solvent msi2lmp use Accelrys Insight code to setup LAMMPS input pymol_asphere convert LAMMPS output of ellipsoids to PyMol format restart2data convert a binary restart file to an input data file xmovie a quick/simple viz package (2d projections of 3d) For tools that are single C, C++, or Fortran files, a Makefile for building them is included in this directory. You may need to edit it for the compilers and paths on your system. For tools in their own sub-directories, see their README file for info on how to build and use it.