forked from lijiext/lammps
39 lines
1.5 KiB
Plaintext
39 lines
1.5 KiB
Plaintext
This directory contains the ch5md library, which is bundled with
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LAMMPS under its own BSD license; see below. This library is used
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when the USER-H5MD package is included in a LAMMPS build and the dump
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h5md command is invoked in a LAMMPS input script.
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You can type "make lib-h5md" from the src directory to see help on how
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to build this library via make commands, or you can do the same thing
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by typing "python Install.py" from within this directory, or you can
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do it manually by following the instructions below.
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---------------------
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ch5md : Read and write H5MD files in C
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======================================
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Copyright (C) 2013-2014 Pierre de Buyl
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ch5md is a set of C routines to manipulate H5MD files. H5MD is a file format
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specification based on [HDF5](http://www.hdfgroup.org/HDF5/) for storing
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molecular data, whose development is found at <http://nongnu.org/h5md/>.
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ch5md is developped by Pierre de Buyl and is released under the 3-clause BSD
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license that can be found in the file LICENSE.
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To use the h5md dump style in lammps, execute
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make -f Makefile.h5cc
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in this directory then
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make yes-user-h5md
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in the src directory of LAMMPS to rebuild LAMMPS.
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Note that you must have the h5cc compiler installed to use
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Makefile.h5cc. It should be part
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If HDF5 is not in a standard system location, edit Makefile.lammps accordingly.
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In the case of 2015 and more recent debian and ubuntu systems where concurrent
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serial and mpi are possible, use the full platform depedent path, i.e.
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`HDF5_PATH=/usr/lib/x86_64-linux-gnu/hdf5/serial`
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