This directory contains the ch5md library, which is bundled with LAMMPS under its own BSD license; see below. This library is used when the USER-H5MD package is included in a LAMMPS build and the dump h5md command is invoked in a LAMMPS input script.

You can type "make lib-h5md" from the src directory to see help on how to build this library via make commands, or you can do the same thing by typing "python Install.py" from within this directory, or you can do it manually by following the instructions below.

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ch5md : Read and write H5MD files in C

Copyright (C) 2013-2014 Pierre de Buyl

ch5md is a set of C routines to manipulate H5MD files. H5MD is a file format specification based on HDF5 for storing molecular data, whose development is found at http://nongnu.org/h5md/.

ch5md is developped by Pierre de Buyl and is released under the 3-clause BSD license that can be found in the file LICENSE.

To use the h5md dump style in lammps, execute make -f Makefile.h5cc in this directory then make yes-user-h5md in the src directory of LAMMPS to rebuild LAMMPS.

Note that you must have the h5cc compiler installed to use Makefile.h5cc. It should be part

If HDF5 is not in a standard system location, edit Makefile.lammps accordingly.

In the case of 2015 and more recent debian and ubuntu systems where concurrent serial and mpi are possible, use the full platform depedent path, i.e. HDF5_PATH=/usr/lib/x86_64-linux-gnu/hdf5/serial