Axel
Steve
The current core LAMMPS developers are listed here. You can email an individual developer with a question, or send an email to all of them at this address: "developers at lammps.org".
| Name | Affiliation | Areas of expertise | |
| Axel Kohlmeyer | Temple University | akohlmey at gmail.com | OpenMP, library interface, LAMMPS-GUI, GitHub, MatSci forum, code maintenance, testing, releases |
| Steve Plimpton | Sandia National Labs (retired) | sjplimp at gmail.com | original author, MD kernels, parallel algorithms & scalability, code structure and design |
| Aidan Thompson | Sandia National Labs | athomps at sandia.gov | manybody potentials, machine learned potentials, materials science, statistical mechanics |
| Name | Affiliation | Areas of expertise | |
| Richard Berger | Los Alamos National Lab | richard.berger at outlook.com | Python, HPC, DevOps |
| Germain Clavier | Laboratoire CIMAP | germain.clavier at unicaen.fr | organic molecules and polymers, mechanical properties, surfaces, integrators, coarse-graining |
| Joel Clemmer | Sandia National Labs | jtclemm at sandia.gov | granular systems, fluid/solid mechanics |
| Jacob R. Gissinger | Stevens Institute of Technology | jgissing at stevens.edu | reactive molecular dynamics, macromolecular systems, type labels |
| James Goff | Sandia National Labs | jmgoff at sandia.gov | machine learned potentials, QEq solvers, Python |
| Meg McCarthy | Sandia National Labs | megmcca at sandia.gov | metal alloys, microstucture, machine learned potentials |
| Stan Moore | Sandia National Labs | stamoor at sandia.gov | Kokkos, KSpace solvers, ReaxFF |
| Trung Nguyen | University of Chicago | ndactrung at gmail.com | soft matter, GPU package, DIELECTRIC package, regression testing |
Past developers include the following folks:
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:
| Apr25 | KOKKOS version of dihedral multi/harmonic | Richard Berger (LANL) | |
| Apr25 | dump extxyz | François-Xavier Coudert (CNRS) | |
| Apr25 | compute vacf/chunk | Axel Kohlmeyer (Temple U) | |
| Apr25 | region2vmd command | Axel Kohlmeyer (Temple U) | |
| Apr25 | bond bpm/spring elastic/plastic variants | Joel Clemmer (SNL) | |
| Apr25 | fix pimd/bosonic variants | Ofir Blumer, Jacob Higer, Yotam Feldman, and Barak Hirshberg (Tel Aviv University) | |
| Feb25 | MDR contact model for pair granular | William Zunker and Sachith Dunatunga (MIT), Dan Bolintineanu and Joel Clemmer (SNL) | |
| Feb25 | fix efield/lepton | Gabriel Alkuino (Syracuse University) | |
| Feb25 | angle mwlc | James D. Farrell, (Chinese Academy of Sciences) | |
| Feb25 | pair dispersion/d3 | Sonia Salomoni (Sorbonne) and Arthur France-Lanord, (CNRS) | |
| Nov24 | fix qtpie/reaxff | Navraj S Lalli (Imperial College London) and Efstratios M Kritikos (CalTech) | |
| Nov24 | pair coul/ctip and fix qeq/ctip | Gabriel Plummer (NASA Ames Research Center) | |
| Aug24 | REHO package | Joel Clemmer (SNL) and Thomas C. O’Connor and Eric Palermo (CMU) | |
| Aug24 | Kokkos versions of various angle, dihederal, improper styles | Meg McCarthy and Stan Moore (SNL) | |
| Aug24 | Kokkos versions of angle spica and pair lj/spica/coul/long | Mitch Murphy | |
| Jun24 | pair hybrid/molecular | Axel Kohlmeyer (Temple U) | |
| Jun24 | ML-UF3 package | Ajinkya C Hire and Richard Hennig (University of Florida), Hendrik Kraß (University of Constance), Matthias Rupp (Luxembourg Institute of Science and Technology) | |
| Jun24 | pair dpd/coul/slater/long | Eddy Barraud (IFPEN/Sorbonne) | |
| 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 | support for type labels (strings) | Jake Gissinger (NASA), Yaser Afshar (UMN), Axel Kohlmeyer (Temple U) | |
| 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 integrator | Mark Stevens & Paul Crozier (Sandia) | |
| - | Ewald and PPPM solvers | Roy Pollock (LLNL) |