LAMMPS website

Authors of LAMMPS

The primary LAMMPS developers are at Sandia National Labs and Temple University:

You can also contact all current LAMMPS developers by sending an email to "developers at".

Past developers include Paul Crozier and Mark Stevens, both at Sandia, and Ray Shan, now at Materials Design.

The following folks deserve special recognition. Many of the packages they have written are unique for an MD code and LAMMPS would not be as general-purpose as it is without their expertise and efforts.

As discussed on the History page of the website, LAMMPS originated as a cooperative project between DOE labs and industrial partners. Folks involved in the design and testing of the original version of LAMMPS were the following:

Here is a timeline for when various individuals contributed code for a new feature or command or tool to LAMMPS:

Apr24 pair pedone Axel Kohlmeyer (Temple U)
Apr24 angle and dihederal cosine/restricted Evangelos Voyiatzis (NovaMechanics Ltd)
Apr24 fix deform/pressure Joel Clemmer (SNL), Kevin Hanley (U Edinburgh), Jose Salomon (Imperial College)
Apr24 fix wall/flow Vladislav Galigerov (Higher School of Econ) and Daniil Pavlov, (Moscow Institute of Phys and Tech)
Apr24 pair rebomos James Stewart, Khanh Dang, Doug Spearot (when at U Arkansas), see more contributors here
Feb24 Support for heFFTe library for parallel FFTs Miroslav Stoyanov (ORNL)
Feb24 Kokkos versions of pair lj/charmmfsw/coul/long & dihedral charmmfsw Mitch Murphy (Alpha Tau)
Feb24 Kokkos versions of fix temp/rescale & fix temp/berendsen Stan Moore (SNL)
Feb24 GPU versions of pair coul/long/slater and others Trung Nguyen (U Chicago)
Feb24 compute slcsa Paul Lafourcade (CEA)
Feb24 compute reaxff/atom Richard Berger (LANL)
Feb24 compute rattlers/atom & fix nonaffine/displacement Joel Clemmer (SNL)
Feb24 compute pace James Goff, Drew Rohskopf, Aidan Thompson (SNL)
Nov23 compute composition/atom Megan McCarthy (SNL)
Nov23 fix press/langevin Germain Clavier (TU Eindhoven)
Nov23 pair nb3b/screened Federica Lodesani (University of Modena)
Nov23 pair snap/intel Mike Brown (Intel)
Nov23 Kokkos versions of fix efield, fix spring/self, pair yukawa/colloid Trung Nguyen (U Chicago)
Nov23 anti-aliasing option for dump image/movie Axel Kohlmeyer (Temple U)
Jun23 fix pimd/langevin Yifan Li (Princeton)
Jun23 pair aip/water/2dm Wengen Ouyang (Wuhan University), Xiaohui Duan (Shandong University), Ping Gao (National SC Center in Wuxi)
Jun23 pair lj/cut/sphere, lj/expand/sphere, lepton/sphere Axel Kohlmeyer (Temple U)
Mar23 fix wall/lepton and wall/table Axel Kohlmeyer (Temple U)
Mar23 bond harmonic/restrain Axel Kohlmeyer (Temple U)
Mar23 fix alchemy and compute pressure/alchemy Axel Kohlmeyer (Temple U)
Mar23 fix mdi/qmmm and support for PySCF, NWChem, LATTE Steve Plimpton
Mar23 pair born/gauss Axel Kohlmeyer (Temple U)
Feb23 new equal mode of NEB Tom D Swinburne (CNRS)
Feb23 ABC-FIRE variant of FIRE minimizer Sebastian Echeverri Restrepo (King's College London)
Feb23 compute efield/wolf/atom Axel Kohlmeyer (Temple U)
Feb23 angle_write and dihederal_write commands Axel Kohlmeyer (Temple U)
Feb23 LEPTON package Axel Kohlmeyer (Temple U)
Feb22 pair meam/ms and meam/ms/kk Drew Rohskopf and Aidan Thompson (SNL) and Mike Baskes (LANL, UNT)
Feb23 Kokkos version of ML-IAP Python interface for PyTorch Matt Bettencourt (NVIDIA)
Feb23 Kokkos versions of pair lj/expand/coul/long and lj/cut/dipole/cut Trung Nguyen (U Chicago)
Feb23 Kokkos version of pair pace/extrapolation Yury Lysogorskiy (ICAMS, RUB)
Feb23 GPU version of AMOEBO/HIPPO Trung Nguyen (U Chicago)
Dec22 Kokkos versions of fix viscous and dt/reset Michal Kanski (Jagiellonian U)
Dec22 fix sgcmc command Aidan Thompson (SNL) and Axel Kohlmeyer (Temple U)
Dec22 reset_atoms command Axel Kohlmeyer (Temple U)
Dec22 ML-POD package Ngoc Cuong Nguyen (MIT) and Andrew Rohskopf (SNL)
Nov22 pair ylz Mehdi Baghaee (SUSTech Shenzhen)
Sep22 enable minimization with fix shake and rattle Axel Kohlmeyer (Temple U)
Aug22 AMOEBA package Josh Rackers and Steve Plimpton (Sandia) and Trung Nguyen (U Chicago)
Aug22 compute sna/grid and sna/grid/local Aidan Thompson (Sandia) and Lenz Fiedler (HZDR)
Aug22 pair srp/react Vaibhav Palkar (Clemson)
Aug22 Kokkos version of pair meam Naga Vydyanathan (NVIDIA) and Stan Moore (Sandia)
Jun22 Kokkos version of pair pace Stan Moore (Sandia)
Jun22 pair sw/angle/table and threebody/table Christoph Scherer (Max Planck Institute for Polymer Research, Mainz)
Jun22 1d FFT support for HIP and KOKKOS Emily Kahl (University of Queensland)
May22 BPM package Joel Clemmer (Sandia)
May22 ELECTRODE package Ludwig Ahrens-Iwers and Robert Meißner (Hamburg University of Technology) and Shern Tee (University of Queensland)
May22 compute fep/ta Shifeng Ke (Zhejiang University)
May22 pair ilp/graphene/hbn/opt, ilp/tmd/opt, saip/metal/opt Ping Gao and Xiaohui Duan (National Supercomputing Center in Wuxi)
May22 pair smatb and smatb/single for the SMTBQ package Daniele Rapetti (Politecnico di Torino)
May22 dump yaml Axel Kohlmeyer (Temple U)
May22 compute born/matrix Germain Clavier (TU Eindhoven)
May22 Kokkos version of pair adp Vladislav Galigerov and Vsevolod Nikolskiy (Higher School of Economics, Russia)
May22 region ellipsoid Evangelos Voyiatzis (NovaMechanics Ltd)
Mar22 thermo_style yaml output Axel Kohlmeyer (Temple U)
Mar22 fix damping/cundall and viscous/sphere Jibril Coulibaly (Northwestern U)
Mar22 compute pressure/cartesian and pressure/spherical Olav Galteland (Norwegian U of Science and Technology)
Feb22 pair ilp/tmd and saip/metal Wengen Ouyang (Wuhan University)
Feb22 fix numdiff/virial Aidan Thompson (Sandia) and Charlie Sievers (UC Davis)
Feb22 pair harmonic/cut Axel Kohlmeyer (Temple U)
Jan22 dump_modify every/time option Michal Kanski (Jagiellonian U)
Jan22 compute ave/sphere/atom Stan Moore and Mitch Wood (Sandia)
Dec21 pair nm/cut/split and bond fene/nm Joseph Dietz and Robert Hoy (USF)
Dec21 pair sw/mod Jin-Wu Jiang (Shanghai U), Wengen Ouyang (Wuhan U)
Oct21 fix acks2/reaxff Metin Aktulga (MSU) and Stan Moore (Sandia)
Aug21 Kokkos version of fix nvt/sllod Emily Kahl (U Queensland)
Jul21 compute heat/flux/virial/tally Donatas Surblys (Tohoku U)
Jul21 compute fabric Joel Clemmer (Sandia)
Jul21 DIELECTRIC package Trung Ngyuen and Monica Olvera del Cruz (Northwestern)
May21 USER-RANN package Christopher Barrett and Doyl Dickel (Mississippi State U)
May21 USER-HDNNP package Andreas Singraber (U Vienna)
May21 USER-PACE package Yury Lysogorskiy and collaborators (ICAMS, Ruhr-Uni Bochum)
May21 USER-BROWNIAN package Sam Cameron (U Bristol)
May21 USER-MDI package Taylor Barnes (MolSSI)
May21 fix charge/regulation Tine Curk (Northwestern U) and Jiaxing Yuan )Shanghai Jiao Tong U)
May21 fix dpd/ext and dpd/ext/tstat Martin Svoboda, Karel Sindelka, and Martin Lisal (ICPF)
May21 new neighbor multi Joel Clemmer (Sandia) and Kevin Stratford (U of Edinburgh)
May21 pair hybrid/scaled Axel Kohlmeyer (Temple U)
May21 pair lj/smooth/gpu Gurgen Melikyan (HSE U)
Apr21 plugin command and package Axel Kohlmeyer (Temple U)
Mar21 pair lj/relres Mark Chaimovich (Russian School of Mathematics and Aviel Chaimovich (Drexel U)
Feb21 pair wf/cut Xipeng Wang (Chinese Academy of Sciences) and Simón Ramírez-Hinestrosa (U Cambridge)
Feb21 pair eam/he Xiaowang Zhou (Sandia)
Dec20 fix tgnvt/drude and fix tgnpt/drude Zheng Gong (ENS de Lyon)
Nov20 pair spin/exchange/biquadratic Julian Tranchida (Sandia)
Nov20 bond and angle gaussian Evangelos Voyiatzis (Royal DSM)
Nov20 fix electron/stopping/fit James Stewart and Remi Dingreville (Sandia)
Oct20 shell tool Axel Kohlmeyer (Temple U)
Oct20 pair coul/tt Kateryna Goloviznina, Zheng Gong, Agilio Padua (ENS de Lyon)
Sep20 fix pafi Thomas Swinburne (CNRS)
Aug20 fix momentum/chunk Jiang Xiao, (Hong Kong Polytechnic U)
Aug20 bond special David Nicholson (MIT)
Jul20 fix widom Evangelos Voyiatzis (Royal DSM)
Jul20 reset_mol_ids command Jake Gissinger (U Colorado)
Jul20 fix bond/create/angle Joao Gregorio and Oliver Henrich (Strathclyde U, Glasgow, UK)
Jul20 compute mliap Adian Thompson (Sandia)
Jun20 pair mliap and MLIAP package Adian Thompson (Sandia)
May20 fix accelerate/cos and compute viscosity/cos Zheng Gong (École normale supérieure de Lyon)
Apr20 HIP backend for AMD GPUs Evgeny Kuznetsov, Vladimir Stegailov, Vsevolod Nikolskiy (National Research University Higher School of Economics, Russia)
Apr20 kim_property command Yaser Afshar, Ellad Tadmor, Daniel S. Karls, Ryan Elliott (UMN)
Mar20 fix numdiff Charlie Sievers (UC Davis)
Mar20 pair coul/slater Evangelos Voyiatzis (Royal DSM)
Feb20 min_style fire (improved) Julien Guénolé (RWTH Aachen) and Erik Bitzek (FAU Erlangen-Nuernberg)
Jan20 fix wall/relect/stochastic Quy-Dong To (Université Paris Est Marne la Vallée)
Jan20 fix propel/self Stefan Paquay (Brandeis U)
Jan20 fix npt/cauchy Ronald Miller (Carlton U), Fabio Pavia, and Subrahmanyam Pattamatta (UMN)
Jan20 pair style mesocnt Philipp Kloza (U Cambridge)
Jan20 compute snap Aidan Thompson (Sandia)
Jan20 pair style lj/cut/tip4p/long/gpu Vsevolod Nikolskiy (National Research University Higher School of Economics, Moscow)
Nov19 compute centroid/stress/atom Donatas Surblys (Tohoku University)
Nov19 compute gyration/shape/chunk Evangelos Voiatzis (Royal DSM)
Nov19 kim_param command Yaser Afshar and the OpenKIM team (UMN)
Oct19 third_order command Charlie Sievers (UC Davis)
Sep19 compute hma A Schultz, A Purohit, D Kofke (U Buffalo)
Sep19 pair style local/density Tanmoy Sanyal (UCSB)
Sep19 pair style cosine/squared Eugen Rozic (UCL)
Aug19 compute momentum Rupert Nash (EPCC)
Aug19 compute gyration/shape Evangelos Voyiatzis (Royal DSM)
May19 pair e3b Steven Strong (U Chicago)
May19 pair drip Mingjian Wen (U Minnesota)
Apr19 neb_spin and fix setforce/spin Julien Tranchida (Sandia)
Apr19 fix electron/stopping K. Avchaciov (Tartu U and U Helsinki), Risto Toijala (University of Helsinki)
Mar19 pair granular Dan Bolintineanu, Ishan Srivastava, Jeremy Lechman (Sandia)
Feb19 dynamical_matrix command Charles Sievers (UC Davis)
Feb19 USER-ADIOS package Norbert Podhorszki (ORNL)
Feb19 USER-YAFF package Steven Vandenbrande (Ghent University)
Jan19 pair lebedeva/z Zbigniew Kozioł (National Center for Nuclear Research, Otwock-Świerk, Poland)
Nov18 USER-PLUMED package Pablo Piaggi (Ecole Polytechnique Federale de Lausanne) and Gareth Tribello (Queen's University Belfast)
Nov18 USER-SDPD package Morteza Jalalvand (Institute for Advanced Studies in Basic Sciences, Iran)
Oct18 compute adf Aidan Thompson (Sandia)
Oct18 Kokkos support for granular interactions Denis Taniguchi (Newcastle U)
Oct18 USER-PTM package Peter Larsen (MIT)
Oct18 fix ffl Lionel Constantin, David Wilkins, Michele Ceriotti (EPFL Lausanne)
Oct18 compute pressure/cylinder Cody Addington (NCSU)
Sep18 compute stress/mop and stress/mop/profile Laurent Joly (U Lyon) and Romain Vermorel (U Pau and Pays de l'Adour)
Aug18 CMake build option for LAMMPS Christoph Junghans (LANL), Richard Berger, and Axel Kohlmeyer (Temple U)
Jul18 DEM polygonal and polyhedron particles Trung Nguyen (Northwestern U)
Jun18 SPIN package Julien Tranchida (Sandia and CEA)
Jun18 compute entropy/atom Pablo Piaggi (EPLF, Switzerland)
May18 fix bond/react Jake Gissinger (CU Boulder)
Apr18 USER-BOCS package Nicholas Dunn and Michael DeLyser (Penn State U)
Mar18: pair coul/shield, kolmogorov/crespi/full, ilp/graphene/hbn Wengen Ouyang (Tel Aviv U)
Feb18 pair lj/cut/coul/wolf Vishal Boddu (U of Erlangen-Nuremberg)
Feb18 USER-MOFFF package Hendrik Heenen (Technical U of Munich) and Rochus Schmid (Ruhr-University Bochum)
Feb18 pair ufm Rodolfo Paula Leite and Maurice de Koning (Unicamp/Brazil)
Dec17 fix python/move Richard Berger (Temple U)
Nov17 pair extep Jaap Kroes (Radboud U)
Oct17 USER-UEF package David Nicholson (MIT)
Oct17 fix rhok Ulf Pederson (Roskilde U)
Oct17 bond gromos Axel Kohlmeyer (Temple U)
Oct17 pair born/coul/wolf/cs and coul/wolf/cs Vishal Boddu
Sep17 fix latte Christian Negre (LANL)
Sep17 temper_npt Amulya Pervaje and Cody Addington (NCSU)
Aug17 USER-MESO package Zhen Li (Brown University)
Aug17 compute aggregate/atom & fragment/atom Axel Kohlmeyer (Temple U)
Jul17 pair meam/c Sebastian Hutter (Otto-von-Guericke University)
Jun17 pair reaxc/omp Metin Aktulga (MSU) and Axel Kohlmeyer (Temple U)
Jun17 pair vashishita/gpu Anders Hafreager (UiO)
Jun17 kspace pppm/disp/intel and pair lj/long/coul/long/intel Mike Brown (Intel) and William McDoniel (RWTH Aachen U)
Jun17 compute cnp/atom Paulo Branicio (USC)
May17 fix python and pair python Richard Berger (Temple U)
May17 pair edip/multi Chao Jiang (U Wisconsin)
May17 pair gw and gw/zbl German Samolyuk (ORNL)
Mar17 pair charmm fsw and fsh Robert Meissner & Lucio Colombi Ciacchi (Bremen U), Robert Latour (Clemson U)
Mar17 pair momb Ya Zhou, Kristen Fichthorn, and Tonnam Balankura (PSU)
Mar17 fix filter/corotate Lukas Fath (KIT)
Mar17 pair kolmogorov/crespi/z Jaap Kroes (Radboud Universiteit)
Feb17 Kokkos versions of the class2 bond/angle/dihedral/improper Ray Shan (Materials Design)
Jan17 USER-CGDNA package Oliver Henrich (U Edinburgh)
Jan17 fix mscg Lauren Abbott (Sandia)
Nov16 temper/grem and fix grem David Stelter (BU), Edyta Malolepsza (Broad Institute), Tom Keyes (BU)
Nov16 pair agni Axel Kohlmeyer (Temple U) and Venkatesh Botu
Nov16 pair tersoff/mod.c Ganga P Purja Pun (George Mason University)
Nov16 pair born/coul/dsf and pair born/coul/dsf/cs Ariel Lozano
Nov16 fix reaxc/species/kk & fix reaxc/bonds/kk Stan Moore (Sandia)
Oct16 fix wall/gran/region Dan Bolintineanu (Sandia)
Sep16 weight options for balance & fix balance Axel Kohlmeyer (Temple U) & Iain Bethune (EPCC)
Sep16 fix cmap Xiaohu Hu (ORNL), David Hyde-Volpe & Tigran Abramyan & Robert Latour (Clemson U), Chris Lorenz (Kings College, London)
Sep16 pair vashishta/table Anders Hafreager (U Oslo)
Sep16 kspace pppm/kk Stan Moore (Sandia)
Aug16 fix flow/gauss Steve Strong and Joel Eaves (U Colorado)
Aug16 fix controller Aidan Thompson (Sandia)
Jul16 dipole integration by DLM method Iain Bethune (EPCC)
Jul16 dihedral spherical Andrew Jewett
Jun16 pair reax/c/kk Ray Shan (Materials Design), Stan Moore (Sandia)
Jun16 fix orient/bcc Tegar Wicaksono (UBC)
Jun16 fix ehex Peter Wirnsberger (University of Cambridge)
Jun16 reactive DPD extensions to USER-DPD James Larentzos (ARL), Timothy Mattox (Engility Corp), John Brennan (ARL), Christopher Stone (Computational Science & Engineering, LLC)
May16 USER-MANIFOLD package Stefan Paquay (Eindhoven U of Tech, The Netherlands)
Apr16 write_coeff Axel Kohlmeyer (Temple U)
Apr16 pair morse/soft Stefan Paquay (Eindhoven U of Tech, The Netherlands)
Apr16 compute dipole/chunk Axel Kohlmeyer (Temple U)
Apr16 bond write Axel Kohlmeyer (Temple U)
Mar16 pair morse/smooth/linear Stefan Paquay (Eindhoven U of Tech, The Netherlands)
Feb16 pair/bond/angle/dihedral/improper zero Carsten Svaneborg (SDU)
Feb16 dump custom/vtk Richard Berger (JKU) and Daniel Queteschiner (DCS Computing)
Feb16 fix (nvt/npt/nph)/body and compute temp/body Trung Nguyen
Feb16 USER-DPD package James Larentzos (ARL), Timothy Mattox (Engility Corp), John Brennan (ARL)
Dec15 fix qeq/fire Ray Shan (Sandia)
Dec15 pair lj/mdf, pair lennard/mdf, pair buck/mdf, improper distance Paolo Raiteri (Curtin University)
Nov15 compute orientorder/atom Aidan Thompson (Sandia) and Axel Kohlmeyer (U Temple)
Nov15 compute hexorder/atom Aidan Thompson (Sandia)
Oct15 displace_atoms variable option Reese Jones (Sandia)
Oct15 pair mgpt & USER-MGPT package Tomas Oppelstrup and John Moriarty (LLNL)
Oct15 pair smtbq & USER-SMTBQ package Nicolas Salles, Emile Maras, Olivier Politano, and Robert Tetot (LAAS-CNRS)
Oct15 fix ave/correlate/long command Jorge Ramirez (UPM) and Alexei Likhtman (U Reading)
Oct15 pair vashishta command Aidan Thompson (Sandia) and Yongnan Xiong (HNU)
Aug15 USER-TALLY package Axel Kohlmeyer (Temple U)
Aug15 timer command Axel Kohlmeyer (Temple U)
Aug15 USER-H5MD package Pierre de Buyl (KU Leuven)
Aug15 COMPRESS package Axel Kohlmeyer (Temple U)
Aug15 USER-SMD package Georg Gunzenmueller (EMI)
Jul15 new HTML format for documentation pages with search option Richard Berger (JKU)
Jul15 rRESPA with pair hybrid Sam Genheden (U of Southampton)
Jul15 pair_modify special Axel Kohlmeyer (Temple U)
Jul15 pair polymorphic Xiaowang Zhou and Reese Jones (Sandia)
Jul15 USER-DRUDE package Alain Dequidt and Agilio Padua (U Blaise Pascal Clermont-Ferrand) and Julien Devemy (CNRS)
Jul15 USER-QTB package Yuan Shen, Tingting Qi, and Evan Reed (Stanford U)
Jul15 USER-DIFFRACTION package Shawn Coleman (ARL)
Mar15 fix temp/csld Axel Kohlmeyer (Temple U)
Mar15 CORESHELL package Hendrik Heenen (Technical University of Munich)
Feb15 pair quip for GAP and other potentials Albert Bartok-Partay (U Cambridge)
Feb15 pair coul/streitz for Streitz-Mintmire potential Ray Shan (Sandia)
Feb15 fix tfmc Kristof Bal (U of Antwerp)
Feb15 fix ttm/mod Sergey Starikov and Vasily Pisarev (JIHT of RAS)
Jan15 fix atom/swap for MC swaps of atom types/charge Paul Crozier (Sandia)
Nov14 fix pimd for path-integral MD Chris Knight and Yuxing Peng (U Chicago)
Nov14 fix gle and fix ipi for path-integral MD Michele Ceriotti (EPFL)
Nov14 pair style srp Tim Sirk (ARL) and Pieter in 't Veld (BASF)
Nov14 fix ave/spatial/sphere Niall Jackson (Imperial College)
Sep14 QEQ package and several fix qeq/variant styles Ray Shan (Sandia)
Sep14 SNAP package and pair style Aidan Thompson (Sandia) and collaborators
Aug14 USER-INTEL package Mike Brown (Intel)
May14 KOKKOS pacakge Christian Trott and Carter Edwards (Sandia)
May14 USER-FEP pacakge Agilio Padua (U Blaise Pascal Clermont-Ferrand)
Apr14 fix rigid/small NVE/NVT/NPH/NPT Trung Nguyen (ORNL)
Apr14 fix qmmm for QM/MM coupling Axel Kohlmeyer (Temple U)
Mar14 kspace_modify collective for faster FFTs on BG/Q Paul Coffman (IBM)
Mar14 fix temp/csvr and fix oneway Axel Kohlmeyer (Temple U)
Feb14 pair peri/eps, compute dilatation/atom, compute plasticity/atom Rezwanur Rahman and John Foster (UTSA)
Jan14 MPI-IO options for dump and restart files Paul Coffman (IBM)
Nov13 USER-LB package for Lattice Boltzmann Francis Mackay and Colin Denniston (U Western Ontario)
Nov13 fix ti/rs and ti/spring Rodrigo Freitas (UC Berkeley)
Nov13 pair comb3 Ray Shan (Sandia), Tao Liang and Dundar Yilmaz (U Florida)
Nov13 write_dump and dump movie Axel Kohlmeyer (Temple U)
Sep13 xmgrace tool Vikas Varshney
Sep13 pair zbl Aidan Thompson and Stephen Foiles (Sandia)
Aug13 pair nm and variants Julien Devemy (ICCF)
Aug13 fix wall/lj1043 Jonathan Lee (Sandia)
Jul13 pair peri/ves Rezwan Rahman, JT Foster (U Texas San Antonio)
Jul13 pair tersoff/mod Vitaly Dozhdikov (JIHT of RAS)
Jul13 compute basal/atom Christopher Barrett,(Mississippi State)
Jul13 polybond tool Zachary Kraus (Georgia Tech)
Jul13 fix gld Stephen Bond and Andrew Baczewski (Sandia)
Jun13 pair nb3b/harmonic Todd Zeitler (Sandia)
Jun13 kspace_style pppm/stagger Stan Moore (Sandia)
Jun13 fix tune/kspace Paul Crozier (Sandia)
Jun13 long-range point dipoles Stan Moore (Sandia) and Pieter in 't Veld (BASF)
May13 compute msd/nongauss Rob Hoy
May13 pair list Axel Kohlmeyer (Temple U)
May13 triclinic support for long-range solvers Stan Moore (Sandia)
Apr13 dump_modify nfile and fileper Christopher Knight
Mar13 fix phonon Ling-Ti Kong (Shanghai Jiao Tong University)
Mar13 pair_style lj/cut/tip4p/cut Pavel Elkind (Gothenburg University)
Feb13 immediate variables in input script Daniel Moller (Autonomous University of Barcelona)
Feb13 fix species Ray Shan (Sandia)
Jan13 compute voronoi/atom Daniel Schwen
Nov12 pair_style mie/cut Cassiano Aimoli Petrobras (U Notre Dame)
Oct12 pair_style meam/sw/spline Robert Rudd (LLNL)
Oct12 angle_style fourier and fourier/simple and quartic Loukas Peristeras (Scienomics)
Oct12 dihedral_style fourier and nharmonic and quadratic Loukas Peristeras (Scienomics)
Oct12 improper_style fourier Loukas Peristeras (Scienomics)
Oct12 kspace_style pppm/disp for 1/r^6 Rolf Isele-Holder (Aachen University)
Oct12 moltemplate molecular builder tool Andrew Jewett (UCSB)
Sep12 pair_style lj/cut/coul/dsf and coul/dsf Trung Nguyen (ORNL)
Sep12 multi-level summation long-range solver Stan Moore, Stephen Bond, and Paul Crozier (Sandia)
Aug12 fix rigid/npt and fix rigid/nph Trung Nguyen (ORNL)
Aug12 Fortran wrapper on lib interface Karl Hammond (UT, Knoxville)
Aug12 kspace_modify diff for 2-FFT PPPM Rolf Isele-Holder (Aachen University), Stan Moore (BYU), Paul Crozier (Sandia)
Jun12 pair_style bop Don Ward and Xiaowang Zhou (Sandia)
Jun12 USER-MOLFILE package Axel Kohlmeyer (U Temple)
Jun12 USER-COLVARS package Axel Kohlmeyer (U Temple)
May12 read_dump Tim Sirk (ARL)
May12 improper_style cossq and ring Georgios Vogiatzis (CoMSE, NTU Athens)
May12 pair_style lcbop Dominik Wojt (Wroclaw University of Technology)
Feb12 PPPM per-atom energy/virial Stan Moore (BYU)
Feb12 Ewald per-atom energy/virial German Samolyuk (ORNL), Stan Moore (BYU)
Feb12 minimize forcezero linesearch Asad Hasan (CMU)
Feb12 pair_style beck Jon Zimmerman (Sandia)
Feb12 pair_style meam/spline Alex Stukowski (LLNL)
Jan12 pair_style kim Valeriu Smirichinski, Ryan Elliott, Ellad Tadmor (U Minn)
Jan12 dihedral_style table Andrew Jewett (UCSB)
Jan12 angle_style dipole Mario Orsi
Jan12 pair_style lj/smooth/linear Jon Zimmerman (Sandia)
Jan12 fix reax/c/bond Tzu-Ray Shan (Sandia)
Dec11 pair_style coul/wolf Yongfeng Zhang (INL)
Dec11 run_style verlet/split Yuxing Peng and Chris Knight (U Chicago)
Dec11 pair_style tersoff/table Luca Ferraro (CASPUR)
Nov11 per-atom energy/stress for reax/c Tzu-Ray Shan (Sandia)
Oct11 Fast Lubrication Dynamics (FLD) package: Amit Kumar, Michael Bybee, Jonathan Higdon (UIUC)
Oct11 USER-OMP package Axel Kohlmeyer (Temple U)
Sep11 pair_style edip Luca Ferraro (CASPUR)
Aug11 USER-SPH package Georg Ganzenmuller (FIHSD, EMI, Germany)
Aug11 fix restrain Craig Tenney (Sandia)
Aug11 USER-CUDA package Christian Trott (U Tech Ilmenau)
Aug11 pair_style lj/sf Laurent Joly (U Lyon)
Aug11 bond_style harmonic/shift and harmonic/shift/cut Carsten Svaneborg
Aug11 angle_style cosine/shift and cosine/shift/exp Carsten Svaneborg
Aug11 dihedral_style cosine/shift/exp Carsten Svaneborg
Aug11 pair_style dipole/sf Mario Orsi
Aug11 fix addtorque and compute temp/rotate Laurent Joly (U Lyon)
Aug11 FFT support via FFTW3, MKL, ACML, KISS FFT libraries Axel Kohlmeyer (Temple U)
Jun11 pair_style adp Chris Weinberger (Sandia), Stephen Foiles (Sandia), Chandra Veer Singh (Cornell)
Jun11 Windows build option via Microsoft Visual Studio Ilya Valuev (JIHT, Moscow, Russia)
Jun11 antisymmetrized wave packet MD Ilya Valuev (JIHT, Moscow, Russia)
Jun11 dump image Nathan Fabian (Sandia)
May11 pppm GPU single and double Mike Brown (ORNL)
May11 pair_style lj/expand/gpu Inderaj Bains (NVIDIA)
2010 pair_style reax/c and fix qeq/reax Metin Aktulga (Purdue, now LBNL)
- DREIDING force field, pair_style hbond/dreiding, etc Tod Pascal (Caltech)
- fix adapt and compute ti for thermodynamic integration for free energies Sai Jayaraman (Sandia)
- pair_style born and gauss Sai Jayaraman (Sandia)
- stochastic rotation dynamics (SRD) via fix srd Jeremy Lechman (Sandia) and Pieter in 't Veld (BASF)
- ipp Perl script tool Reese Jones (Sandia)
- eam_database and createatoms tools Xiaowang Zhou (Sandia)
- electron force field (eFF) Andres Jaramillo-Botero and Julius Su (Caltech)
- embedded ion method (EIM) potential Xiaowang Zhou (Sandia)
- COMB potential with charge equilibration Tzu-Ray Shan (U Florida)
- fix ave/correlate Benoit Leblanc, Dave Rigby, Paul Saxe (Materials Design) and Reese Jones (Sandia)
- pair_style peri/lps Mike Parks (Sandia)
- fix msst Lawrence Fried (LLNL), Evan Reed (LLNL, Stanford)
- thermo_style custom tpcpu & spcpu keywords Axel Kohlmeyer (Temple U)
- fix rigid/nve, fix rigid/nvt Tony Sheh and Trung Dac Nguyen (U Michigan)
- public SVN & Git repositories for LAMMPS Axel Kohlmeyer (Temple U) and Bill Goldman (Sandia)
- compute heat/flux German Samolyuk (ORNL) and Mario Pinto (Computational Research Lab, Pune, India)
- pair_style yukawa/colloid Randy Schunk (Sandia)
- fix wall/colloid Jeremy Lechman (Sandia)
2009 fix imd for real-time viz and interactive MD Axel Kohlmeyer (Temple Univ)
- concentration-dependent EAM potential Alexander Stukowski (Technical University of Darmstadt)
- parallel replica dymamics (PRD) Mike Brown (Sandia)
- min_style hftn Todd Plantenga (Sandia)
- fix atc Reese Jones, Jon Zimmerman, Jeremy Templeton (Sandia)
- dump cfg Liang Wan (Chinese Academy of Sciences)
- fix nvt with Nose/Hoover chains Andy Ballard (U Maryland)
- pair_style lj/cut/gpu, pair_style gayberne/gpu Mike Brown (Sandia)
- pair_style lj96/cut, bond_style table, angle_style table Chuanfu Luo
- fix langevin tally Carolyn Phillips (U Michigan)
- compute heat/flux for Green-Kubo Reese Jones (Sandia), Philip Howell (Siemens), Vikas Varsney (AFRL)
- region cone Pim Schravendijk
- pair_style born/coul/long Ahmed Ismail (Sandia)
- fix ttm Paul Crozier (Sandia) and Carolyn Phillips (U Michigan)
- fix box/relax Aidan Thompson and David Olmsted (Sandia)
- ReaxFF potential Aidan Thompson (Sandia) and Hansohl Cho (MIT)
- compute cna/atom Liang Wan (Chinese Academy of Sciences)
2008 Tersoff/ZBL potential Dave Farrell (Northwestern U)
- peridynamics Mike Parks (Sandia)
- fix smd for steered MD Axel Kohlmeyer (U Penn)
- GROMACS pair potentials Mark Stevens (Sandia)
- lmp2vmd tool Axel Kohlmeyer (U Penn)
- compute group/group Naveen Michaud-Agrawal (Johns Hopkins U)
- USER-CG-CMM package for coarse-graining Axel Kohlmeyer (U Penn)
- cosine/delta angle potential Axel Kohlmeyer (U Penn)
- VIM editor add-ons for LAMMPS input scripts Gerolf Ziegenhain
- pair_style lubricate Randy Schunk (Sandia)
- compute ackland/atom Gerolf Ziegenhain
- kspace_style ewald/n, pair_style lj/coul, pair_style buck/coul Pieter in 't Veld (Sandia)
- AI-REBO bond-order potential Ase Henry (MIT)
- making LAMMPS a true "object" that can be instantiated multiple times, e.g. as a library Ben FrantzDale (RPI)
- pymol_asphere viz tool Mike Brown (Sandia)
2007 NEMD SLLOD integration Pieter in 't Veld (Sandia)
- tensile and shear deformations Pieter in 't Veld (Sandia)
- GayBerne potential Mike Brown (Sandia)
- ellipsoidal particles Mike Brown (Sandia)
- colloid potentials Pieter in 't Veld (Sandia)
- fix heat Paul Crozier and Ed Webb (Sandia)
- neighbor multi and communicate multi Pieter in 't Veld (Sandia)
- MATLAB post-processing scripts Arun Subramaniyan (Purdue)
- triclinic (non-orthogonal) simulation domains Pieter in 't Veld (Sandia)
- thermo_extract tool: Vikas Varshney (Wright Patterson AFB)
- fix ave/time and fix ave/spatial Pieter in 't Veld (Sandia)
- MEAM potential Greg Wagner (Sandia)
- optimized pair potentials for lj/cut, charmm/long, eam, morse James Fischer (High Performance Technologies), David Richie and Vincent Natoli (Stone Ridge Technologies)
2006 fix wall/lj126 Mark Stevens (Sandia)
- Stillinger-Weber and Tersoff potentials Aidan Thompson and Xiaowang Zhou (Sandia)
- region prism Pieter in 't Veld (Sandia)
- fix momentum and recenter Naveen Michaud-Agrawal (Johns Hopkins U)
- multi-letter variable names Naveen Michaud-Agrawal (Johns Hopkins U)
- OPLS dihedral potential: Mark Stevens (Sandia)
- POEMS coupled rigid body integrator: Rudranarayan Mukherjee (RPI)
- faster pair hybrid potential: James Fischer (High Performance Technologies, Inc), Vincent Natoli and David Richie (Stone Ridge Technology)
- breakable bond quartic potential: Chris Lorenz and Mark Stevens (Sandia)
- DCD and XTC dump styles: Naveen Michaud-Agrawal (Johns Hopkins U)
- grain boundary orientation fix Koenraad Janssens and David Olmsted (Sandia)
- pair_style lj/smooth potential Craig Maloney (UCSB)
- radius-of-gyration spring fix Naveen Michaud-Agrawal (Johns Hopkins U) and Paul Crozier (Sandia)
- self spring fix Naveen Michaud-Agrawal (Johns Hopkins U)
- EAM CoAl and AlCu potentials Kwang-Reoul Lee (KIST, Korea)
- cosine/squared angle potential Naveen Michaud-Agrawal (Johns Hopkins U)
- helix dihedral potential Naveen Michaud-Agrawal (Johns Hopkins U) and Mark Stevens (Sandia)
- Finnis/Sinclair EAM: Tim Lau (MIT)
- dissipative particle dynamics (DPD) potentials: Kurt Smith (U Pitt) and Frank van Swol (Sandia)
- TIP4P potential (4-site water): Ahmed Ismail and Amalie Frischknecht (Sandia)
2005 uniaxial strain fix: Carsten Svaneborg (Max Planck Institute)
- compressed dump files: Erik Luijten (U Illinois)
- cylindrical indenter fix: Ravi Agrawal (Northwestern U)
- electric field fix: Christina Payne (Vanderbilt U)
- AMBER <-> LAMMPS tool: Keir Novik (Univ College London) and Vikas Varshney (U Akron)
- CHARMM <-> LAMMPS tool: Pieter in 't Veld and Paul Crozier (Sandia)
- Morse bond potential: Jeff Greathouse (Sandia)
- radial distribution functions: Paul Crozier & Jeff Greathouse (Sandia)
- force tables for long-range Coulombics: Paul Crozier (Sandia)
2004 targeted molecular dynamics (TMD): Paul Crozier (Sandia) and Christian Burisch (Bochum University, Germany)
- FFT support for SGI SCLS (Altix): Jim Shepherd (Ga Tech)
- lmp2cfg and lmp2traj tools: Ara Kooser, Jeff Greathouse, Andrey Kalinichev (Sandia)
- parallel tempering: Mark Sears (Sandia)
earlier granular force fields and BC: Leo Silbert & Gary Grest (Sandia)
- multi-harmonic dihedral potential: Mathias Putz (Sandia)
- embedded atom method (EAM) potential: Stephen Foiles (Sandia)
- msi2lmp tool: Steve Lustig (Dupont), Mike Peachey & John Carpenter (Cray)
- HTFN energy minimizer: Todd Plantenga (Sandia)
- class 2 force fields: Eric Simon (Cray)
- NVT/NPT integrators: Mark Stevens (Sandia)
- rRESPA: Mark Stevens & Paul Crozier (Sandia)
- Ewald and PPPM solvers: Roy Pollock (LLNL)