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View Code? Open in Web Editor NEWA bunch of C++/Python scripts/libs to read/analyse MD trajectories, especially LAMMPS.
License: Other
A bunch of C++/Python scripts/libs to read/analyse MD trajectories, especially LAMMPS.
License: Other
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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