Homec4science
Diffusion lammps (lammm-master) Browse

lammps/src/USER-MOLFILE
eff8d7d8c74clammm-master

Compare
Back to HEAD
History

USER-MOLFILE

Install.sh
Package.sh
README
dump_molfile.cpp
dump_molfile.h
molfile_interface.cpp
molfile_interface.h
molfile_plugin.h
vmdplugin.h

README

This package provides an C++ interface class to the VMD molfile plugins, http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/, and a set of LAMMPS classes that use this interface.

Molfile plugins provide a consistent programming interface to read and write file formats commonly used in molecular simulations. The package only provides the interface code, not the plugins; these can be obtained from a VMD installation which has to match the platform that you are using to compile LAMMPS for. By adding plugins, support for new file formats can be added to LAMMPS (or VMD or other programs that use them) without having to recompile the application itself. The plugins are installed in the directory: <VMDHOME>/plugins/<VMDARCH>/molfile

NOTE: while the programming interface (API) to the plugins is backward compatible, the binary interface (ABI) has been changing over time, so it is necessary to compile this package with the plugin header files from VMD that match the binary plugins. These header files in the directory: <VMDHOME>/plugins/include For convenience, the package ships with a set of header files that are compatible with VMD 1.9 and 1.9.1 (the current version in June 2012)

The person who created this package is Axel Kohlmeyer at Temple U (akohlmey at gmail.com). Contact him directly if you have questions.

c4science · Help