2011-08-28 03:03:30 +08:00
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The files in this package are a potpourri of (mostly) unrelated
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2011-08-09 05:19:54 +08:00
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features contributed to LAMMPS by users. Each feature is a single
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2011-08-28 03:03:30 +08:00
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pair of files (*.cpp and *.h).
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2011-08-09 05:19:54 +08:00
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More information about each feature can be found by reading its doc
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2011-08-28 03:03:30 +08:00
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page in the LAMMPS doc directory. The doc page which lists all LAMMPS
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input script commands is as follows:
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2011-08-09 05:19:54 +08:00
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2011-08-28 03:03:30 +08:00
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doc/Section_commands.html, subsection 3.5
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2011-08-09 05:19:54 +08:00
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User-contributed features are listed at the bottom of the fix,
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compute, pair, etc sections.
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2011-08-28 03:03:30 +08:00
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The list of features and author of each is given below.
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You should contact the author directly if you have specific questions
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about the feature or its coding.
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2011-08-09 05:19:54 +08:00
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------------------------------------------------------------
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2011-08-09 06:33:00 +08:00
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angle_style cosine/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
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angle_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
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2012-10-27 07:25:24 +08:00
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angle_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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angle_style fourier/simple, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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2012-01-11 04:01:18 +08:00
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angle_style dipole, Mario Orsi, orsimario at gmail.com, 10 Jan 12
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2012-10-27 07:25:24 +08:00
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angle_style quartic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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2011-08-09 06:33:00 +08:00
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bond_style harmonic/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
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bond_style harmonic/shift/cut, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
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2011-08-18 05:56:03 +08:00
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compute ackland/atom, Gerolf Ziegenhain, gerolf at ziegenhain.com, 4 Oct 2007
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2013-07-26 23:32:49 +08:00
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compute basal/atom, Christopher Barrett, cdb333 at cavs.msstate.edu, 3 Mar 2013
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2017-05-31 12:38:44 +08:00
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compute cnp/atom, Paulo Branicio (USC), branicio at usc.edu, 31 May 2017
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2018-06-24 06:25:07 +08:00
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compute entropy/atom, Pablo Piaggi (EPFL), pablo.piaggi at epfl.ch, 15 June 2018
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2018-10-02 23:56:29 +08:00
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compute pressure/cylinder, Cody K. Addington (NCSU), , 2 Oct 2018
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2018-09-05 22:56:12 +08:00
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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
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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
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2011-08-09 07:20:03 +08:00
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compute temp/rotate, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
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2016-11-23 04:25:59 +08:00
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compute PRESSURE/GREM, David Stelter, dstelter@bu.edu, 22 Nov 16
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2011-08-09 06:33:00 +08:00
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dihedral_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
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2012-10-27 07:25:24 +08:00
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dihedral_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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dihedral_style nharmonic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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dihedral_style quadratic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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2016-07-16 06:35:36 +08:00
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dihedral_style spherical, Andrew Jewett, jewett.aij@gmail.com, 15 Jul 16
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2012-01-11 04:52:33 +08:00
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dihedral_style table, Andrew Jewett, jewett.aij@gmail.com, 10 Jan 12
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2018-05-11 21:36:40 +08:00
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dihedral_style table/cut, Mike Salerno, ksalerno@pha.jhu.edu, 11 May 18
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2011-08-09 07:20:03 +08:00
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fix addtorque, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
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2015-10-22 03:27:14 +08:00
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fix ave/correlate/long, Jorge Ramirez (UPM Madrid), jorge.ramirez at upm.es, 21 Oct 2015
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2018-02-25 13:49:28 +08:00
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fix bond/react, Jacob Gissinger (CU Boulder), info at disarmmd.org, 24 Feb 2018
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2018-09-28 18:46:11 +08:00
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fix ffl, David Wilkins (EPFL Lausanne), david.wilkins @ epfl.ch, 28 Sep 2018
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2017-03-15 18:34:01 +08:00
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fix filter/corotate, Lukas Fath (KIT), lukas.fath at kit.edu, 15 Mar 2017
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2016-08-28 06:37:35 +08:00
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fix flow/gauss, Joel Eaves (CU Boulder), Joel.Eaves@Colorado.edu, 23 Aug 2016
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2014-11-25 01:23:55 +08:00
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fix gle, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
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2016-11-22 23:47:44 +08:00
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fix grem, David Stelter, dstelter@bu.edu, 22 Nov 16
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2011-08-18 05:56:03 +08:00
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fix imd, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 2009
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2014-11-25 01:23:55 +08:00
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fix ipi, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
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2016-12-29 06:03:37 +08:00
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fix nvk, Efrem Braun (UC Berkeley), efrem.braun at gmail.com, https://github.com/lammps/lammps/pull/310
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2014-11-25 04:57:12 +08:00
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fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014
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2017-10-19 04:56:47 +08:00
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fix rhok, Ulf Pedersen (Roskilde U), ulf at urp.dk, 25 Sep 2017
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2011-08-18 05:56:03 +08:00
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fix smd, Axel Kohlmeyer, akohlmey at gmail.com, 19 May 2008
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2013-11-05 04:55:25 +08:00
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fix ti/spring, Rodrigo Freitas (Unicamp/Brazil), rodrigohb at gmail.com, 7 Nov 2013
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2015-02-05 04:59:58 +08:00
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fix ttm/mod, Sergey Starikov and Vasily Pisarev (JIHT), pisarevvv at gmail.com, 2 Feb 2015
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2017-07-05 22:16:42 +08:00
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fix wall/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017
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2017-07-05 22:46:48 +08:00
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fix wall/region/ees, Abdoreza Ershadinia, a.ershadinia at gmail.com, Jul 2017
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2012-05-23 00:12:51 +08:00
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improper_style cossq, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
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2012-10-27 07:25:24 +08:00
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improper_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
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2012-05-23 00:12:51 +08:00
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improper_style ring, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
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2015-12-10 06:38:18 +08:00
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improper_style distance, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
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2016-11-12 22:07:42 +08:00
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pair_style agni, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 16
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2015-12-10 06:38:18 +08:00
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pair_style buck/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
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2011-12-01 22:53:16 +08:00
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pair_style coul/diel, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
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2019-04-03 12:24:36 +08:00
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pair_style coul/shield, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
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2011-09-15 23:35:26 +08:00
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pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11
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pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11
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2017-11-29 01:34:23 +08:00
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pair_style extep, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Nov 17
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2011-12-01 22:53:16 +08:00
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pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
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2019-04-03 12:24:36 +08:00
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pair_style ilp/graphene/hbn, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
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2019-01-04 06:17:10 +08:00
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pair_style lebedeva/z, Zbigniew Koziol (National Center for Nuclear Research), softquake at gmail dot com, 4 Jan 19
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2015-12-10 06:38:18 +08:00
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pair_style lennard/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
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2013-06-05 04:44:50 +08:00
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pair_style list, Axel Kohlmeyer (Temple U), akohlmey at gmail.com, 1 Jun 13
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2015-12-10 06:38:18 +08:00
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pair_style lj/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
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2019-04-03 12:24:36 +08:00
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pair_style kolmogorov/crespi/full, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
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2017-03-01 00:16:27 +08:00
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pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17
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2012-02-02 06:47:13 +08:00
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pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12
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2012-10-27 07:25:24 +08:00
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pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12
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2016-03-02 04:41:58 +08:00
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pair_style morse/smooth/linear, Stefan Paquay (TU Eindhoven), stefanpaquay at gmail.com, 29 Feb 16
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2014-11-25 01:15:05 +08:00
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pair_style srp, Tim Sirk, tim.sirk at us.army.mil, 21 Nov 14
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2011-12-01 22:53:16 +08:00
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pair_style tersoff/table, Luca Ferraro, luca.ferraro@caspur.it, 1 Dec 11
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2017-03-23 22:24:13 +08:00
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pair_style momb, Kristen Fichthorn, Tonnam Balankura, Ya Zhou, fichthorn@psu.edu, 18 Mar 17
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2016-11-22 23:47:44 +08:00
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temper/grem, David Stelter, dstelter@bu.edu, 22 Nov 16
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2017-09-01 02:56:43 +08:00
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temper/npt, Amulya K. Pervaje, Cody K. Addington, amulyapervaje@gmail.com , 31 Aug 17
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