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A bunch of C++/Python scripts/libs to read/analyse MD trajectories, especially LAMMPS.

License: Other

Makefile 0.81% C 12.89% C++ 58.75% Shell 0.05% Python 27.50%
lammps analysis

lammps-tools's Introduction

These are various scripts and a C++11 lib to do analysis on
LAMMPS data/dump files, although it should be fairly
straightforward to extend it to other types of simulation formats.

This software is, and probably always will be, very beta. Some stuff
is stable or at least usable, but due to the ad-hoc nature of the project,
it will always be prone to change and will never be finished.

I try to add documentation as much as possible, you can make the docs by 
running "make dox" dir. This requires doxygen and graphviz.
You can then read them by opening the 

To use all functionality, compile and install the C++ lib first by running
"make" in the main dir. 
The C++ lib optionally depends on the following libraries:
  CGAL
  armadillo
  lammps (compiled as a shared library)
  icp
  gsd
By default, all dependencies are disabled.


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