108 lines
7.8 KiB
Plaintext
108 lines
7.8 KiB
Plaintext
The files in this package are a potpourri of (mostly) unrelated
|
|
features contributed to LAMMPS by users. Each feature is a single
|
|
pair of files (*.cpp and *.h).
|
|
|
|
More information about each feature can be found by reading its doc
|
|
page in the LAMMPS doc directory. The doc page which lists all LAMMPS
|
|
input script commands is as follows:
|
|
|
|
doc/Section_commands.html, subsection 3.5
|
|
|
|
User-contributed features are listed at the bottom of the fix,
|
|
compute, pair, etc sections.
|
|
|
|
The list of features and author of each is given below.
|
|
|
|
You should contact the author directly if you have specific questions
|
|
about the feature or its coding.
|
|
|
|
------------------------------------------------------------
|
|
|
|
angle_style cosine/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
|
|
angle_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
|
|
angle_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
angle_style fourier/simple, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
angle_style dipole, Mario Orsi, orsimario at gmail.com, 10 Jan 12
|
|
angle_style quartic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
bond_style harmonic/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
|
|
bond_style harmonic/shift/cut, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
|
|
bond_style special, David Nicholson, davidanich at gmail.com, 31 Jan 2020
|
|
compute ackland/atom, Gerolf Ziegenhain, gerolf at ziegenhain.com, 4 Oct 2007
|
|
compute basal/atom, Christopher Barrett, cdb333 at cavs.msstate.edu, 3 Mar 2013
|
|
compute cnp/atom, Paulo Branicio (USC), branicio at usc.edu, 31 May 2017
|
|
compute entropy/atom, Pablo Piaggi (EPFL), pablo.piaggi at epfl.ch, 15 June 2018
|
|
compute gyration/shape, Evangelos Voyiatzis, evoyiatzis at gmail.com, 25 July 2019
|
|
compute gyration/shape/chunk, Evangelos Voyiatzis, evoyiatzis at gmail.com, 22 October 2019
|
|
compute hma, Andrew Schultz & David Kofke (UB), ajs42 at buffalo.edu & kofke at buffalo.edu, 1 Jul 2019
|
|
compute pressure/cylinder, Cody K. Addington (NCSU), , 2 Oct 2018
|
|
compute momentum, Rupert Nash (University of Edinburgh), r.nash at epcc.ed.ac.uk, 28 June 2019
|
|
compute stress/mop, Romain Vermorel (U Pau) & Laurent Joly (U Lyon), romain.vermorel at univ-pau.fr & ljoly.ulyon at gmail.com, 5 Sep 18
|
|
compute stress/mop/profile, Romain Vermorel (U Pau) & Laurent Joly (U Lyon), romain.vermorel at univ-pau.fr & ljoly.ulyon at gmail.com, 5 Sep 18
|
|
compute temp/rotate, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
|
|
compute viscosity/cos, Zheng Gong (ENS de Lyon), z.gong@outlook.com, 24 Apr 20
|
|
compute PRESSURE/GREM, David Stelter, dstelter@bu.edu, 22 Nov 16
|
|
dihedral_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
|
|
dihedral_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
dihedral_style nharmonic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
dihedral_style quadratic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
dihedral_style spherical, Andrew Jewett, jewett.aij@gmail.com, 15 Jul 16
|
|
dihedral_style table, Andrew Jewett, jewett.aij@gmail.com, 10 Jan 12
|
|
dihedral_style table/cut, Mike Salerno, ksalerno@pha.jhu.edu, 11 May 18
|
|
fix accelerate/cos, Zheng Gong (ENS de Lyon), z.gong@outlook.com, 24 Apr 20
|
|
fix addtorque, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
|
|
fix ave/correlate/long, Jorge Ramirez (UPM Madrid), jorge.ramirez at upm.es, 21 Oct 2015
|
|
fix electron/stopping, Konstantin Avchaciov, k.avchachov at gmail.com, 26 Feb 2019
|
|
fix ffl, David Wilkins (EPFL Lausanne), david.wilkins @ epfl.ch, 28 Sep 2018
|
|
fix filter/corotate, Lukas Fath (KIT), lukas.fath at kit.edu, 15 Mar 2017
|
|
fix flow/gauss, Joel Eaves (CU Boulder), Joel.Eaves@Colorado.edu, 23 Aug 2016
|
|
fix gle, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
|
|
fix grem, David Stelter, dstelter@bu.edu, 22 Nov 16
|
|
fix imd, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 2009
|
|
fix ipi, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
|
|
fix momentum/chunk, Jiang Xiao (Hong Kong Polytechnic University), polyu-xiao.jiang at connect.polyu.hk, 19 Aug 2020
|
|
fix npt/cauchy, R. E. Miller (Carleton University), F. Pavia and S. Pattamatta, 12 Jan 2020
|
|
fix nvk, Efrem Braun (UC Berkeley), efrem.braun at gmail.com, https://github.com/lammps/lammps/pull/310
|
|
fix orient/eco Adrian A. Schratt and Volker Mohles (Ruhr-Uni Bochum), volker.mohles at rub.de, 6 Jun 2020
|
|
fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014
|
|
fix propel/self, Stefan Paquay (Brandeis U), stefanpaquay at gmail.com, 20 Jan 2020
|
|
fix rhok, Ulf Pedersen (Roskilde U), ulf at urp.dk, 25 Sep 2017
|
|
fix smd, Axel Kohlmeyer, akohlmey at gmail.com, 19 May 2008
|
|
fix ti/spring, Rodrigo Freitas (Unicamp/Brazil), rodrigohb at gmail.com, 7 Nov 2013
|
|
fix ttm/mod, Sergey Starikov and Vasily Pisarev (JIHT), pisarevvv at gmail.com, 2 Feb 2015
|
|
fix wall/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017
|
|
fix wall/reflect/stochastic, Quy-Dong To (U Gustave Eiffel), toquydong at gmail.com, Jan 2020
|
|
fix wall/region/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017
|
|
improper_style cossq, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
|
|
improper_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
|
|
improper_style ring, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
|
|
improper_style distance, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
|
|
pair_style agni, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 16
|
|
pair_style buck/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
|
|
pair_style cosine/squared, Eugen Rozic, eugen.rozic.17 at ucl.ac.uk, 9 Aug 19
|
|
pair_style coul/diel, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
|
|
pair_style coul/shield, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
|
|
pair_style coul/slater/cut, Evangelos Voyiatzis, evoyiatzis at gmail.com, 26 February 2020
|
|
pair_style coul/slater/long, Evangelos Voyiatzis, evoyiatzis at gmail.com, 26 February 2020
|
|
pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11
|
|
pair_style e3b, Steven Strong (U Chicago), stevene.strong at gmail dot com, 16 Apr 19
|
|
pair_style drip, Mingjian Wen, University of Minnesota, wenxx151 at umn.edu, 17 Apr 19
|
|
pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11
|
|
pair_style extep, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Nov 17
|
|
pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
|
|
pair_style ilp/graphene/hbn, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
|
|
pair_style lebedeva/z, Zbigniew Koziol (National Center for Nuclear Research), softquake at gmail dot com, 4 Jan 19
|
|
pair_style lennard/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
|
|
pair_style list, Axel Kohlmeyer (Temple U), akohlmey at gmail.com, 1 Jun 13
|
|
pair_style lj/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
|
|
pair_style local/density, Tanmoy Sanyal (tanmoy dot 7989 at gmail.com) and M. Scott Shell (UCSB), and David Rosenberger (TU Darmstadt), 9 Sept 19
|
|
pair_style kolmogorov/crespi/full, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
|
|
pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17
|
|
pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12
|
|
pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12
|
|
pair_style morse/smooth/linear, Stefan Paquay (TU Eindhoven), stefanpaquay at gmail.com, 29 Feb 16
|
|
pair_style srp, Tim Sirk, tim.sirk at us.army.mil, 21 Nov 14
|
|
pair_style tersoff/table, Luca Ferraro, luca.ferraro@caspur.it, 1 Dec 11
|
|
pair_style momb, Kristen Fichthorn, Tonnam Balankura, Ya Zhou, fichthorn@psu.edu, 18 Mar 17
|
|
temper/grem, David Stelter, dstelter@bu.edu, 22 Nov 16
|
|
temper/npt, Amulya K. Pervaje, Cody K. Addington, amulyapervaje@gmail.com , 31 Aug 17
|