RCS file: /vmd/cvsroot/plugins/molfile_plugin/src/lammpsplugin.c,v Working file: lammpsplugin.c head: 1.23 branch: locks: strict access list: symbolic names: vmd-1-8-6: 1.20 vmd-1-8-5: 1.17 vmd-1-8-4: 1.14 vmd-1-8-3: 1.7 keyword substitution: kv total revisions: 23; selected revisions: 23 description: ---------------------------- revision 1.23 date: 2009/02/24 05:10:14; author: johns; state: Exp; lines: +2 -2 cranked LAMMPS plugin version since Axel's patch added limited write support. ---------------------------- revision 1.22 date: 2009/02/24 05:08:42; author: johns; state: Exp; lines: +125 -30 Added Axel's latest patch adding vmdcon support to LAMMPS plugin ---------------------------- revision 1.21 date: 2008/02/29 20:13:22; author: johns; state: Exp; lines: +26 -8 Applied Axel Kohlmeyer's patch for the LAMMPS plugin to allow it to correctly interpret both absolute and fractional atom coordinates. ---------------------------- revision 1.20 date: 2007/02/16 21:27:09; author: johns; state: Exp; lines: +84 -46 applied Axel Kohlmeyer's patch for the LAMMPS plugin this patch fixes a few flaws in the current implementation. - there should be no c++ style comments in a .c file. - using the atom number for an atom name is wasteful, can easily overflow VMD's hash tables and provides an information that is already available for a fraction of the memory needed. - the allocated atoms structure is cleared and proper default names are supplied for required elements. this patch also adds support for zlib decompression (i.e. transparent reading of .gz files without having to go though decompressing to a temp file or reading from a pipe). drawback: non-compressed reading is slower.