From 58c70ec9e461f4bc9676239fd9644be3c459dab8 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 23 Oct 2015 00:30:38 +0000 Subject: [PATCH] '' git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14186 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Manual.html | 3 ++- doc/Section_packages.html | 44 +++++++++++++++++++++++++++++++++------ doc/Section_packages.txt | 27 +++++++++++++++++++++++- doc/searchindex.js | 2 +- 4 files changed, 67 insertions(+), 9 deletions(-) diff --git a/doc/Manual.html b/doc/Manual.html index 608f606624..149dcb1aa6 100644 --- a/doc/Manual.html +++ b/doc/Manual.html @@ -253,7 +253,8 @@ it gives quick access to documentation for all LAMMPS commands.

  • 4.32. USER-QTB package
  • 4.33. USER-REAXC package
  • 4.34. USER-SMD package
  • -
  • 4.35. USER-SPH package
  • +
  • 4.35. USER-SMTBQ package
  • +
  • 4.36. USER-SPH package
  • 5. Accelerating LAMMPS performance
  • 5. Accelerating LAMMPS performance
  • @@ -825,7 +826,7 @@ serial.

    USER-MGPT -Fast MGPT multi-ion potentials +fast MGPT multi-ion potentials Tomas Oppelstrup & John Moriarty (LLNL) pair_style mgpt USER/mgpt @@ -964,7 +965,21 @@ serial.

    -USER-SPH +USER-SMTBQ +Second Moment Tight Binding - QEq potential +Salles & Maras & Politano & Tetot (4) +pair_style smtbq +USER/smtbq + + + + + +USER-SPH smoothed particle hydrodynamics Georg Ganzenmuller (EMI) userguide.pdf @@ -975,7 +990,7 @@ serial.

    -USER-TALLY +USER-TALLY Pairwise tallied computes Axel Kohlmeyer (Temple U) compute @@ -989,7 +1004,7 @@ serial.

    -  +        @@ -1009,6 +1024,8 @@ Jerome Henin (LISM, Marseille, France).

    (3) The DRUDE package was created by Alain Dequidt (U Blaise Pascal Clermont-Ferrand) and co-authors Julien Devemy (CNRS) and Agilio Padua (U Blaise Pascal).

    +

    (4) The SMTBQ package was created by Nicolas Salles, Emile Maras, +Olivier Politano, and Robert Tetot (LAAS-CNRS, France).

    If the Library is not listed as lib/package, then it is a third-party library not included in the LAMMPS distribution. See the src/package/Makefile.lammps file for info on where to download the @@ -1462,8 +1479,23 @@ Fraunhofer-Institute for High-Speed Dynamics, Ernst Mach Institute in Germany (georg.ganzenmueller at emi.fhg.de). Contact him directly if you have questions.

    +
    +
    +

    4.35. USER-SMTBQ package

    +

    This package implements the Second Moment Tight Binding - QEq (SMTB-Q) +potential for the description of ionocovalent bonds in oxides.

    +

    There are example scripts for using this package in +examples/USER/smtbq.

    +

    See this doc page to get started:

    +

    pair_style smtbq

    +

    The persons who created the USER-SMTBQ package are Nicolas Salles, +Emile Maras, Olivier Politano, Robert Tetot, who can be contacted at +these email addreses: lammps@u-bourgogne.fr, nsalles@laas.fr. Contact +them directly if you have any questions.

    +
    +
    -

    4.35. USER-SPH package

    +

    4.36. USER-SPH package

    This package implements smoothed particle hydrodynamics (SPH) in LAMMPS. Currently, the package has the following features: