36 lines
1.9 KiB
Plaintext
36 lines
1.9 KiB
Plaintext
This package provides a C++ interface class to the VMD molfile
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plugins, http://www.ks.uiuc.edu/Research/vmd/plugins/molfile, and a
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set of LAMMPS classes that use this interface.
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Molfile plugins provide a consistent programming interface to read and
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write file formats commonly used in molecular simulations. This
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package only provides the interface code, not the plugins; these can
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be taken as precompiled binaries directly from a VMD installation that
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matches the platform of your LAMMPS executable. Using the plugin
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interface one can add support for additional file formats to LAMMPS
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simply by telling LAMMPS where to find a suitable plugin without
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having to recompile or change LAMMPS directly. The plugins bundled
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with VMD are usually installed in a directory inside the VMD
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installation tree named "plugins/<VMDARCH>/molfile".
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To be able to dynamically load and execute the plugins from inside
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LAMMPS, you need to link with an appropriate system library, which
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is done using the settings in lib/molfile/Makefile.lammps. See
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that file and the lib/molfile/README file for more details.
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NOTE: while the programming interface (API) to the molfile plugins is
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backward compatible (i.e. you can expect to be able to compile this
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package for plugins from newer VMD packages), the binary interface
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(ABI) is not. So it is necessary to compile this package with the
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molfile plugin header files (vmdplugin.h and molfile_plugin.h) taken
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from the _same_ VMD installation that the (binary) plugin files are
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taken from. These header files can be found inside the VMD
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installation tree under: "plugins/include".
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For convenience, this package includes a set of header files that is
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compatible with VMD 1.9 and 1.9.1 (the current version in June 2012)
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and should be compilable with VMD versions back to about version 1.8.4
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The person who created this package is Axel Kohlmeyer at Temple U
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(akohlmey at gmail.com). Contact him directly if you have questions.
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