From e3cfdfd49183b13ecce0f0fec01af066abc58d6e Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 19 Aug 2015 16:15:23 +0000 Subject: [PATCH] '' git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13916 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/doc2/Section_packages.html | 21 +++++++++++++++++++++ doc/doc2/genindex.html | 8 ++++++-- 2 files changed, 27 insertions(+), 2 deletions(-) diff --git a/doc/doc2/Section_packages.html b/doc/doc2/Section_packages.html index 723c493778..65418cd7b0 100644 --- a/doc/doc2/Section_packages.html +++ b/doc/doc2/Section_packages.html @@ -48,6 +48,7 @@ packages, more details are provided. BODY body-style particles - body body - CLASS2 class 2 force fields - pair_style lj/class2 - - COLLOID colloidal particles - atom_style colloid colloid - +COMPRESS I/O compression Axel Kohlmeyer (Temple U) dump */gz - - CORESHELL adiabatic core/shell model Hendrik Heenen (Technical U of Munich) Section_howto 6.25 coreshell - DIPOLE point dipole particles - pair_style dipole/cut dipole - FLD Fast Lubrication Dynamics Kumar & Bybee & Higdon (1) pair_style lubricateU - - @@ -130,6 +131,7 @@ on how to build LAMMPS with both kinds of auxiliary libraries. USER-DRUDE Drude oscillators Dequidt & Devemy & Padua (3) tutorial USER/drude - - USER-EFF electron force field Andres Jaramillo-Botero (Caltech) pair_style eff/cut USER/eff eff - USER-FEP free energy perturbation Agilio Padua (U Blaise Pascal Clermont-Ferrand) compute fep USER/fep - - +USER-H5MD dump output via HDF5 Pierre de Buyl (KU Leuven) dump h5md - - h5md USER-INTEL Vectorized CPU and Intel(R) coprocessor styles W. Michael Brown (Intel) Section accelerate examples/intel - - USER-LB Lattice Boltzmann fluid Colin Denniston (U Western Ontario) fix lb/fluid USER/lb - - USER-MISC single-file contributions USER-MISC/README USER-MISC/README - - - @@ -443,6 +445,25 @@ Contact him directly if you have questions.

+

USER-H5MD package +

+

This package contains a dump h5md command for +performing a dump of atom properties in HDF5 format. HDF5 +files are binary, portable and self-describing and can be +examined and used by a variety of auxiliary tools. The output HDF5 +files are structured in a format called H5MD, which was designed to +store molecular data, and can be used and produced by various MD and +MD-related codes. The dump h5md command gives a +citation to a paper describing the format. +

+ + +

The person who created this package and the underlying H5MD format is +Pierre de Buyl at KU Leuven (see http://pdebuyl.be). Contact him +directly if you have questions. +

+
+

USER-INTEL package

This package provides options for performing neighbor list and diff --git a/doc/doc2/genindex.html b/doc/doc2/genindex.html index 2592e637a5..4ba82769cd 100644 --- a/doc/doc2/genindex.html +++ b/doc/doc2/genindex.html @@ -807,12 +807,12 @@

dihedral_style hybrid
- -
dihedral_style multi/harmonic
+
+
dihedral_style nharmonic
@@ -846,6 +846,10 @@ +
dump h5md +
+ +
dump image