README
1This directory contains the ch5md library, which is bundled with
2LAMMPS under its own BSD license; see below. This library is used
3when the H5MD package is included in a LAMMPS build and the dump
4h5md command is invoked in a LAMMPS input script.
5
6You can type "make lib-h5md" from the src directory to see help on how
7to build this library via make commands, or you can do the same thing
8by typing "python Install.py" from within this directory, or you can
9do it manually by following the instructions below.
10
11---------------------
12
13ch5md : Read and write H5MD files in C
14======================================
15
16Copyright (C) 2013-2014 Pierre de Buyl
17
18ch5md is a set of C routines to manipulate H5MD files. H5MD is a file format
19specification based on [HDF5](http://www.hdfgroup.org/HDF5/) for storing
20molecular data, whose development is found at <http://nongnu.org/h5md/>.
21
22ch5md is developed by Pierre de Buyl and is released under the 3-clause BSD
23license that can be found in the file LICENSE.
24
25To use the h5md dump style in lammps, execute
26make -f Makefile.h5cc
27in this directory then
28make yes-h5md
29in the src directory of LAMMPS to rebuild LAMMPS.
30
31Note that you must have the h5cc compiler installed to use
32Makefile.h5cc. It should be part
33
34If HDF5 is not in a standard system location, edit Makefile.lammps accordingly.
35
36In the case of 2015 and more recent debian and ubuntu systems where concurrent
37serial and mpi are possible, use the full platform depedent path, i.e.
38`HDF5_PATH=/usr/lib/x86_64-linux-gnu/hdf5/serial`
39