• Home
  • History
  • Annotate
Name Date Size #Lines LOC

..03-May-2022-

Install.shH A D03-May-20221.6 KiB6543

READMEH A D30-Sep-20211.2 KiB2319

dump_molfile.cppH A D30-Sep-202112.9 KiB464320

dump_molfile.hH A D30-Sep-20212.9 KiB10834

molfile_interface.cppH A D30-Sep-202132.2 KiB1,185860

molfile_interface.hH A D30-Sep-20216 KiB17196

reader_molfile.cppH A D30-Sep-202110.6 KiB373226

reader_molfile.hH A D30-Sep-20211.9 KiB6635

README

1This package provides a C++ interface class to the VMD molfile
2plugins, http://www.ks.uiuc.edu/Research/vmd/plugins/molfile, and a
3set of LAMMPS classes that use this interface.
4
5Molfile plugins provide a consistent programming interface to read
6and write file formats commonly used in molecular simulations.  This
7package only provides the interface code, not the plugins; these can
8be taken as precompiled binaries directly from a VMD installation that
9matches the platform of your LAMMPS executable.  Using the plugin
10interface one can add support for additional file formats to LAMMPS
11simply by telling LAMMPS where to find a suitable plugin without
12having to recompile or change LAMMPS directly.  The plugins bundled
13with VMD are usually installed in a directory inside the VMD
14installation tree named "plugins/<VMDARCH>/molfile".
15
16To be able to dynamically load and execute the plugins from inside
17LAMMPS, you need to link with an appropriate system library, which
18is done using the settings in lib/molfile/Makefile.lammps.  See
19that file and the lib/molfile/README file for more details.
20
21The person who created this package is Axel Kohlmeyer at Temple U
22(akohlmey at gmail.com).  Contact him directly if you have questions.
23