lammps

History

Axel Kohlmeyer b6b022b610 whitespace cleanup: remove trailing blanks		2019-11-03 11:03:39 -05:00
..
Install.sh	update dependencies for USER-CGSDK package. make script permissions consistent	2018-05-09 16:13:54 -04:00
README	update VMD molfile plugin headers and move them to lib/molfile (where they belong)	2017-04-18 11:42:31 -04:00
dump_molfile.cpp	more include handling cleanup in USER packages	2019-07-12 18:00:59 -04:00
dump_molfile.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11283 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-01-21 15:43:45 +00:00
molfile_interface.cpp	replace C-style include files with their C++ equivalents	2018-04-27 18:00:24 -04:00
molfile_interface.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2012-07-25 15:16:20 +00:00
reader_molfile.cpp	whitespace cleanup: remove trailing blanks	2019-11-03 11:03:39 -05:00
reader_molfile.h	Updated USER-MOLFILE	2019-07-08 19:40:31 -06:00

README

This package provides a 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.  This
package only provides the interface code, not the plugins; these can
be taken as precompiled binaries directly from a VMD installation that
matches the platform of your LAMMPS executable.  Using the plugin
interface one can add support for additional file formats to LAMMPS
simply by telling LAMMPS where to find a suitable plugin without
having to recompile or change LAMMPS directly.  The plugins bundled
with VMD are usually installed in a directory inside the VMD
installation tree named "plugins/<VMDARCH>/molfile".

To be able to dynamically load and execute the plugins from inside
LAMMPS, you need to link with an appropriate system library, which
is done using the settings in lib/molfile/Makefile.lammps.  See
that file and the lib/molfile/README file for more details.

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