WWW Site Features

The top-level of extends the Python interpreter in a few simple ways, to make it easier to:

invoke shell commands !ls -l
launch scripts @run 1 dump.*
use command-line options to automate tasks -f raster dump.*
query help for tools and scripts ? gnu

The rest of is a collection of tools which can be invoked by typing interactively, from scripts, or in some cases from GUIs. Some tools are useful by themselves; others work together.

Several of the tools wrap stand-alone applications, so they can be driven from within and scripted. These applications include GnuPlot, MatLab, Raster3d, and RasMol.

The FAQ lists typical tasks that can be performed with various tools. Here's the list of tools in Animate a series of image files Read LAMMPS dump local files with bond info Read, write, manipulate Chemcell data files Create bead-spring chains for LAMMPS input Read ChemCell log files and extract species data Read, write, manipulate LAMMPS data files Read, write, manipulate LAMMPS dump files and atom attributes Convert LAMMPS snapshots to Ensight format 3d interactive visualization via OpenGL Create plots via GnuPlot plotting program Particle density histogram from a dump View and manipulate images Read LAMMPS dump files with line info Read LAMMPS log files and extract thermodynamic data Create plots via MatLab numerical analysis program Read, write, manipulate mesh dump files Compute LAMMPS pairwise energies Create patchy Lennard-Jones particles for LAMMPS input Read, write PDB files in combination with LAMMPS snapshots Plot multiple vectors from a data set 3d visualization via RasMol program 3d visualization via Raster3d program Read, write, manipulate SPARTA surface files 3d visualization via SVG files Read LAMMPS dump files with triangle info VCR-style GUI for 3d interactive OpenGL visualization Create numeric vectors from columns in file or list of vecs Convert LAMMPS snapshots to VTK format Wrapper on VMD visualization package Convert LAMMPS snapshots to XYZ format