Update 6 for Stable release 22 July 2025

This is the sixth and final update to the 22 July 2025 stable release that fixes bugs that have been reported since the fifth update and backported from the development version.

The following individual changes are included:

• backport CMake external build fixes for ML-HDNNP and ML-QUIP
• grid initialization fixes
• also broadcast the molecule orientation
• make quat_external a class member and not a pointer that is borrowed from other classes
• Fix harmonic force for fix spring/chunk
• fix bug with indexing the neighbors in lj/cut/coul/tip4p/gpu with pair hybrid, and add a unit test
• plug memory leak in fix nve/asphere/gpu
• make sure fix vector data is initialized to 0 when allocated so we don't return garbage when accessed early
• avoid segfault when accessing data that has not been accumulated yet
• zero to a negative power is an error
• power of any number by 0 yields 1.0
• EFF: initialize the ECP parameter arrays in pair style eff/cut
• fix bug to correctly detect a missing closing brace
• avoid division by zero and trying to apply a force with ambiguous direction
• point dipoles also add torque to rigid bodies
• must allocate d_cut_ljsq even on pair coul/long KOKKOS version
• correct forward communication buffer size in bond style bpm/zero
• make checking for valid URLs and determining the output file name in geturl more robust and consistent
• use https://github.com/ as test URL for geturl to sidestep firewall issues with GitHub runners
• error out on run style respa in fix electrode/*
• don't leak split-off MPI communicators in GPU package library
• fix copy-n-modify bugs in fix gravity/omp when using variables
• add missing data transfer if fix shake/kk
• avoid division by zero in compute hexorder/atom with nnn = NULL
• fix memory leak in non-GPU KOKKOS versions of ML-PACE pair styles
• avoid division by zero in compute temp/profile
• fix off-by-one bug when looking up pair style hybrid sub-styles in compute spin and fix nve/spin
• fix segfault in fix update/special/bonds when trying to update the special bonds list before a neighbor list was constructed
• fix KOKKOS neighbor list binning with skewed bins
• fix segfault in atom map/kk
• fix spring/self/kk: pack exchange data only in the final scan pass and drop the integer cast on unpacked reference positions
• pair style buck/coul/long/kk: sync per-atom energy and virial back to the host
• fix efield: size the efield array for atom-style energy or potential variables
• fix wall/lj93/kk: call v_init before allocating the per-atom virial view

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Full Changelog: stable_22Jul2025_update5...stable_22Jul2025_update6

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Information on the files attached to this release:

• lammps-src-22Jul2025_update6.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-22Jul2025_update6.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs

There are no binary packages containing LAMMPS and LAMMPS-GUI for this update release. Sorry.

We strongly recommend to upgrade to LAMMPS 2Sep2026 or later and LAMMPS-GUI version 3.1 instead, which is not compatible with this LAMMPS version and will be released alongside the next LAMMPS stable release due in a couple of weeks.

You can download the latest LAMMPS-GUI releases from https://github.com/akohlmey/lammps-gui/releases. LAMMPS-GUI has seen significant updates and improvements in the last 12 months since it was split form the LAMMPS distribution and moved to a git repository of its own. Many of those improvements depend on changes in the LAMMPS code. Of course, you are free to compile the legacy version of LAMMPS-GUI on your own from the source code in the tools/lammps-gui folder.

Stable release candidate 2 September 2026

This release contains the final additions to LAMMPS before the pending 2026 stable release. From here on and until the stable release only corrections and bugfixes will be added.

This is a big release with many changes, particularly many ports to accelerator packages and lots of additions to the built in testing. In anticipation of the stable release it has seen a lot of testing already and a significant part of the changes are bugfixes that were found in the process.

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This release includes the following changes:

• Add BPM based peridynamics implementation (Axel Kohlmeyer, Temple U and Joel Clemmer, SNL) PR #5045
• Add fix ttm/cascade command (Andres Rojano and Samuel T Murphy, Lancaster University) PR #5067
• Add compute frenkel command (Karl Hammond U Missouri, and Axel Kohlmeyer, Temple U) PR #5028
• Add QMMM-XTB package for self-consistent periodic GFN1-xTB and GFN2-xTB QM/MM simulations with PPPM electrostatics (Jinzhe Zeng, USTC) PR #5118
• Add FENIX package to support recovering from MPI node failures through the fenix library (Matthew Whitlock, SNL) PR #5017
• Add support for setting wall locations in fix wall/gran from variables (Axel Kohlmeyer, Temple U) PR #5088
• Add OPENMP, GPU, and KOKKOS versions of pair style eam/he (Axel Kohlmeyer, Temple U) PR #5032
• Add KOKKOS versions for TIP4P pair styles and pppm/tip4p (Axel Kohlmeyer, Temple U) PR #5078
• Add optimizations to the KOKKOS version of the pace pair style from the ML-PACE package (Stan Moore, SNL) PR #5174
• Add KOKKOS versions of the rigid/small fixes (Anders Johansson and Stan Moore, SNL) PR #4609
• Add a whole lot of KOKKOS versions of computes, fixes, pair/bond/angle/dihedral/improper styles, and region styles (Stan Moore, SNL and Axel Kohlmeyer, Temple U) PR #4989
• Fix host/device coherence bugs, precision bugs, and include-group binning (Stan Moore, SNL) PR #5150
• Removes the legacy host/device particle-split load-balancing mechanism from the GPU package (Axel Kohlmeyer, Temple U and Trung Nguyen, U Chicago) PR #5022
• Update bundled COLVARS library to version 2026-07-27 (Giacomo Fiorin, NIH, and the colvars developers) PR #5127
• Update bundled Kokkos library to version 5.2.1 (Stan Moore and the Kokkos developers) PR #5149
• Remove silent single/double floating point conversions in the KOKKOS package when compiled for mixed or single precision (Stan Moore, SNL) PR #5148
• Refactor registering compiled in style to make this a global data structure and thus loaded plugins global, too (Axel Kohlmeyer, Temple U) PR #5010
• Add support for extended particles in computations of inertia and angular momentum (Axel Kohlmeyer, Temple U) PR #4999
• Add dump image enhancements for more rendering features: depth cueing, depth of focus, outlines, specular control, gamma control (Axel Kohlmeyer, Temple U) PR #5105
• Consolidate VTK format output from dump vtk, dump grid/vtk, and fix saed/vtk to use a common VTKWriter class that does not require the VTK libraries (Axel Kohlmeyer, Temple U) PR #5106
• Update MBX package to use version 1.4.0 of the MBX library with enhanced performance (Henry Agnew, UC San Diego) PR #5117
• Update DPD-REACT to remove restrictions and improve the implementation (J.J. Ramsey, from DEVCOM Army Research) PR #5089, PR #5100
• Remove pair style agni and the ML-RANN package from the distribution (Axel Kohlmeyer, Temple U), PR #5090
• A whole chunk of testing related fixes and additions:
  • Store JUnit XML files with the post-merge test results so they can be integrated into the LAMMPS testing dashboard at https://lammps.github.io/lammps-test-results/ (Axel Kohlmeyer, Temple U) PR #5069
  • Overhaul regression test reporting and add result merging tool (Axel Kohlmeyer, Temple U) PR #5070, PR #5111, PR #5144
  • Bug fixes, code hardening, and additional tests in response to static code analysis with Coverity Scan (Axel Kohlmeyer, Temple U) PR #5072, PR #5073, PR #5074
  • Add force-styles testers for minimizer styles and compute/fix output data (Axel Kohlmeyer, Temple U) PR #5083
  • More force-styles tests (Axel Kohlmeyer, Temple U) PR #5084, PR #5085, PR #5146
  • Add YAML-based test facility for dump image and GRAPHICS package rendering (Axel Kohlmeyer, Temple U) PR #5082
  • Updated YAML-based test facility of the GRANULAR package (Zachary White and Emad Renfroe while at SNL) PR #5110
  • More tests for graphics and output class tests (Axel Kohlmeyer, Temple U) PR #5125
  • More tests for granular media and DEM (Axel Kohlmeyer, Temple U) PR #5113
• Many small bug fixes, minor code improvements and refactoring, and updates for coding style, build system, testing, documentation, and formatting (multiple authors): PR #5030, PR #5044, PR #5050, PR #5076, PR #5077, PR #5093, PR #5096, PR #5098, PR #5099, PR #5102, PR #5108, PR #5116, PR #5120, PR #5122, PR #5123, PR #5124, PR #5129, PR #5130, PR #5132, PR #5133, PR #5134, PR #5135, PR #5137, PR #5139, PR #5140, PR #5142, PR #5143, PR #5151, PR #5152, PR #5153, PR #5154, PR #5159, PR #5160, PR #5161, PR #5163, PR #5165, PR #5171, PR #5175

Backward compatibility notes:

• The VTK package no longer exists. Dump style vtk no longer needs the VTK libraries and has been moved to the EXTRA-DUMP package
• The ML-RANN package has been removed
• The agni and agni/omp pair style have been removed

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Full Changelog: patch_4Jul2026...patch_2Sep2026

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Information on the files attached to this release:

• lammps-src-2Sep2026.tar.gz - source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-2Sep2026.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_2Sep2026.pdf - LAMMPS manual as PDF
• lammps-gui-v3.0.99.pdf - Manual for LAMMPS-GUI version v3.0.99 as PDF
• The following packages contain LAMMPS 2Sep2026 and LAMMPS-GUI v3.0.99 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-2Sep2026.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 22.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-2Sep2026.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-2Sep2026.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-x64-GUI-2Sep2026.exe - Installer package for 64-bit x86 Windows 10 or later

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library (version 2Sep2026 or later) please go to the LAMMPS-GUI release page

⚠️ IMPORTANT NOTE: ⚠️
If your are experiencing crashes with the LAMMPS-Linux-x86_64-GUI-2Sep2026.tar.gz package, please either download https://download.lammps.org/testing/LAMMPS-Linux-x86_64-GUI-2Sep2026-v2.tar.gz or delete LAMMPS_GUI/lib/libxkbcommon.so.0 and LAMMPS_GUI/lib/libxkbcommon.so.0.0.0 in the already downloaded and extracted package. If you are still experiencing issues, you could try https://download.lammps.org/testing/LAMMPS-Linux-x86_64-GUI-2Sep2026-v3.tar.gz or https://download.lammps.org/testing/LAMMPS-Linux-x86_64-GUI-2Sep2026-v4.tar.gz instead or submit a bug report issue at https://github.com/lammps/lammps/issues and let us know what the specific issues are and what exact platform you are using the package on.

⚠️ IMPORTANT NOTE: ⚠️
We have reports confirming that the LAMMPS-macOS-multiarch-GUI-2Sep2026.dmg app bundle does not have a multi-arch LAMMPS-GUI binary, but that one operates on Apple CPUs in x86_64 emulation. The cause has been identified and will be corrected in the LAMMPS source distribution soon. A corrected package has been uploaded here: https://download.lammps.org/testing/LAMMPS-macOS-multiarch-GUI-2Sep2026.dmg. Please let us know if you still have problems with that package or see warnings about still using x86_64 emulation.

Update 5 for Stable release 22 July 2025

This is the fifth update to the 22 July 2025 stable release that fixes bugs that have been reported since the fourth update and backported from the development version.

The following individual changes are included:

• backport of 24aadf2
• backport memory fixes from PR #5108
• backport fix wall/gran bugfix from PR #5007
• correct embedding rpath into LAMMPS executable in macOS app bundles
• fix spurious "chunks do not contain all atoms in molecule" warning in compute chunk/atom
• disallow unions or intersections or regions that may translate or rotate since those are broken (pending fix to force consistent motion is in upstream)
• correct torque application in pair style tri/lj
• disambiguate non-virtual overloads in KOKKOS support for REAXFF so that clang is happy without segfaults
• avoid segfault in fix shake/kk destructor because of using incorrect/stale copy of nlocal
• fix memory leak when deleting vector style variables
• do not ignore comment lines for fix ttm/mod input
• fix wrong argument index in pair oxdna/stk potential file reader
• initialize remap plan pointers to nullptr after allocation
• fix dump vtk parallel summary referencing wrong piece files
• reject region-restricted translations in fix gcmc that cannot be placed
• speed up region-restricted gas-atom list rebuild
• fix potential crash in pair style peri/eps due insufficient allocation of theta array
• fix pair brownian/poly Newton's 3rd law violation for random forces
• Disable use of volume fraction correction for brownian/poly
• fix per-type-pair bond-breaking criterion in PERI package pair styles
• make sure torque arrays are initialized to zero before use in lj/log/dipole/long
• backported GPU library fixes for issues detected on AMD 780M APU from #5015
• fix issue in MLIAP unified
• allocate bonded coefficient views in allocate() instead of coeff() for KOKKOS styles
• REACTION: fix segfault when reading fix bond/react per-atom properties from a data file
• KOKKOS: evaluate the pair reaxff/kk bond-order exponentials in double precision to avoid overflow
• KOKKOS: avoid floating-point exceptions in 16 bond, dihedral and improper styles (trips FPE-trapping builds)
• core: improve error messages when a variable references a mismatched compute or fix property
• REPLICA: call kspace->setup() from fix pimd/langevin when the volume changes
• RIGID: support more than 2 billion bodies in fix rigid/small (issue #4038)
• KOKKOS: add the missing fence after pack_reverse_self in reverse_comm_device (race condition)
• core: avoid integer overflow in compute temp/sphere for large systems
• KOKKOS: correct the order of the conditionals in remap_kokkos
• MC: reproduce the fix gcmc random number sequence exactly after a restart
• COLVARS: update size_vector when fix_modify changes the number of colvars
• core: fix infinite loop in compute_modify and let computes see and override extra/dof and dynamic/dof
• core: avoid a segfault when printing the error indicator line for a missing command argument
• MACHDYN: use double instead of float in pair smd/triangulated/surface and remove debug code
• SPIN: fix hang of fix nve/spin in parallel when a sector contains atoms outside the fix group
• core: reject fix adapt diameters that would give zero mass or a negative diameter
• build: define FFT_KOKKOS_FFTW_THREADS in CMake so KOKKOS FFT threading is actually enabled
• MOLECULE: add the missing copymode guard to the bond style base destructors (double free)
• ASPHERE: avoid excessive torque in pair gayberne when the determinant is very small
• GRANULAR: fix kinetic energy gain of fix wall/gran hooke/history for grazing frictional impacts (the corresponding doc update is already on maintenance)
• EXTRA-FIX: warn when fix ttm/mod is used with a restricted coupling region; correct the Si example
• DPD-REACT: grow duCond/duMech with nmax instead of recreating them every step
• DPD-REACT: remove per-step malloc/free in pair exp6/rx, pair multi/lucy/rx and pair mesocnt
• KOKKOS: stop fix acks2/reaxff/kk from silently producing wrong results with a reduced precision KOKKOS library
• REPLICA: validate the swap partner index in fix temper, fix temper/npt and fix temper/grem
• RIGID: initialize molecule[] for atoms outside the group and fix the file handling in readfile()
• ML-IAP: use SafeFilePtr in MLIAPModelSimple::read_coeffs, which reused a closed file handle and leaked it on errors
• core: guard Replicate::newtag against topology data referencing a non-existent atom
• PHONON: initialize and check the pivot indices in FixPhonon::GaussJordan
• KSPACE: fix the slab correction self-energy of ewald/dipole, ewald/dipole/spin and pppm/dipole/spin
• KOKKOS: fix the flipped forward/backward flag in fft_3d_1d_only_kokkos
• COUPLE: plug a memory leak on failed plugin loads in the plugin loader
• SPIN: call the collective error function on all ranks in pair_style spin so parallel runs abort instead of hanging
• SPIN: apply the Zeeman field unit conversion in fix precession/spin only once
• SPIN: initialize the symmetric cutoff pairs in pair spin/neel
• core: fix the column selection for 2d single-value averaging in fix ave/grid
• AMOEBA: fix the corrupted sorting of the 1-3 neighbor list in kmpole()
• OPENMP: fix per-atom energy indexing in the TIP4P /omp pair styles
• DPD-MESO: do not tally heat flux from stale data for neighbors beyond the temperature cutoff in pair edpd
• DPD-MESO: clamp the correct random number for the eDPD random heat flux
• EXTRA-FIX: use current unwrapped coordinates and the correct energy index in fix efield/tip4p
• ASPHERE: do not tally stale sub-particle force data in pair line/lj and pair tri/lj
• RIGID: restrict momentum resampling in fix rigid/small to bodies inside the fix group
• MOFFF: avoid multiplying with an uninitialized inverse distance in angle cosine/buck6d
• core: fix three copy-paste errors in the parsing of the region cone hi boundary
• core: return a valid contact point for rim contacts with an open side face of region cylinder
• EXTRA-COMPUTE: do not read past the number of neighbors in compute ackland/atom
• MC: store all global settings of pair dsmc in the restart file
• PHONON: honor the documented default output file of dynamical_matrix and third_order
• MISC, ML-RANN: harden the potential file parsing of pair agni and pair rann
• core: fix destructor safety on error paths and missing size checks in MyPoolChunk, fix halt, fix vector and fix imd
• KOKKOS: fix the memory usage reporting and uninitialized members of fix reaxff/bonds/kk
• core, RIGID, MANYBODY: handle fully open region block/prism, garbage accumulator indices in pair bop, and uninitialized rigid body bonus pointers
• MANYBODY: avoid an out-of-bounds read in single() of pair local/density
• PHONON: plug two memory leaks and guard against calling ferror() on a null file pointer in third_order
• KSPACE: accumulate the slab correction into the reported energy in pppm/tip4p and pppm/tip4p/omp
• KSPACE: evaluate all TIP4P slab correction terms at the virtual charge site
• core: do not leak memory in 10 fixes and computes when the same argument is given more than once
• KSPACE: fix uninitialized data, grid communication buffer sizes and per-atom energy/virial in pppm/dipole/spin
• SPH, GPU: accumulate the long-range correction of pair sph/lj outside the neighbor list loop
• DPD-SMOOTH: make the random number seeding of pair sdpd/taitwater/isothermal independent of the command order
• EXTRA-FIX: set the missing extscalar flag in fix ffl
• EXTRA-FIX: initialize the r-RESPA level count in fix electron/stopping/fit
• GPU: fix a GPU memory fault in pair edpd/gpu when no power/kappa tables are used
• FEP, INTERLAYER: match hybrid pair styles by prefix so an active suffix does not break the sub-style checks
• COLVARS: correct the wrap function of orientation_angle (upstream Colvars PR 943)
• MISC: do not request the accelerated fix NEIGH_HISTORY from pair tracker, which does not support it
• RIGID, SRD: fix the rigid body update for line and triangle particles
• RIGID: fix the rotation of line particles inside rigid bodies
• REPLICA: reset max_nlocal in fix pimd/nvt so that buf_beads[i] is reallocated
• MANYBODY: count funcfl data in pair eam only after the file was read successfully
• core: make Input::execute_command exception safe so failed commands do not leak
• KSPACE: make the kspace_modify mix/disp setting work for ewald/disp
• KOKKOS: discard the stale small system neigh/thread heuristic in the package kokkos command
• core: return no contact from regions with all faces open instead of unassigned coordinates
• GRANULAR: get the neighbor history fix of fix granular/mdr from the pair style instead of a hardcoded ID
• BOCS, EXTRA-FIX: initialize members read before first use in compute pressure/bocs and fix controller
• REAXFF: correct the member names used to initialize the fix qeq/reaxff sparse matrix
• KOKKOS: fix six correctness defects in mliap/so3/kk, compute temp/deform/kk, pair exp6/rx/kk, fix wall/gran/old and fix wall/region/kk
• ML-IAP: avoid an integer overflow before the intended 64-bit atom count handling
• DPD-REACT, KOKKOS: add the missing rx mixing weight sanity checks and release Kokkos views promptly
• core: do not reject zero-size global fix state when reading a restart file (granular history and BPM restarts)
• GRANULAR: do not request the accelerated fix NEIGH_HISTORY from pair granular, which does not support it
• core: error out instead of crashing on invalid variable references in next, py_ functions, fix store/state and fix ave/grid
• GRANULAR, MDI: consistent MDR wall guar...

Feature release 4 July 2026

This is a very big feature release with many changes (about 5 times more than usual) because we were able to address a whole bunch of long-standing issues, and could develop functionality that we wanted to have for a long time, but never found volunteers to implement them. There also are a lot of traditionally programmed contributions and bug fixes.

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This release includes the following changes:

• Update the bundled Kokkos library to version 5.1.0 (Stan Moore, SNL and the Kokkos developers) PR #4934
• Add new GRANSURF package with fixes and a pair style to model granular surface from triangles or line segments (Steve Plimpton, Joel Clemmer and Dan Bolintineanu, SNL) PR #4213
• Add fix graphics/chunk command that renders convex hulls for chunks for atoms (Axel Kohlmeyer, Temple U) PR #4951
• Add fix graphics/replica command that renders atoms from other replicas of a multi-replica simulation (Axel Kohlmeyer, Temple U) PR #4821
• Add option to dump image to color bonds by property and option to fix graphics/labels to display not only atom colormaps but also for bonds and grids (Axel Kohlmeyer, Temple U) PR #5048
• Add fix baoab command that adds a BAOAB Langevin integrator (Aram Davtyan, Deep Origin Inc.) PR #4973
• Add fix gemc command that implements Gibbs-Ensemble Monte Carlo (Andrew Y. K. Hong, Aidan Thompson, and Stan Moore, SNL) PR #4718
• Add fix ilves constraint solver (Axel Kohlmeyer, Temple U with assistance from Lorién López Villellas, Universidat de Zaragoza) PR #5054
• Add kspace style ESP (FFT based like PPPM) and related pair styles (Jiuyang Liang, Libin Lu, and Shidong Jiang, Flatiron Institute) PR #4804
• Add pair style ldd to the BOCS package (Maria C. Lesniewski, Michael R. DeLyser, and Will G. Noid, Penn State) PR 4737
• Add kspace_modify slab auto option to optimize the slab size for quasi-2d simulations (Jiuyang Liang and Xuanzhao Gao, Flatiron Institute) PR #4939
• Add pair style airebo/bc for a bond-centric AIREBO model (Jaewoong Hur (Virginia Tech; work originally done at Clemson University), PR #5041
• Add styles to the OPENMP and KOKKOS packages (Axel Kohlmeyer, Temple U and Stan Moore, SNL) PR #4956, PR #4958, PR #4960, PR #4969, PR #4980, PR #5009
• Add run style verlet/rk and kspace style pppm/rk as alternative for run style verlet/split at very high MPI rank counts (Brian Dandurand, Queens University Belfast) PR #4622
• Updates for the CG-DNA package with new styles and a major refactoring (Oliver Henrich, University of Strathclyde) PR #4966
• Updates and improvements for the GRAPHICS package (Axel Kohlmeyer, Temple U) PR #4961
• Updates and improvements to the DPD-REACT package (James J. Ramsey, DEVCOM Army Research Laboratory) PR #4982
• Add option to enable auto-tuning for some KOKKOS styles (Trung Nguyen, U Chicago) PR #4830
• Improvements for PPPM with KOKKOS: multi-threading and collective communication tweaks (Chris Daley, Chris Parrott, Evan Weinberg, NVIDIA) PR #4952
• Add ML-RUNNER package for machine learning potentials using the RuNNer Fortran library (Knut Nikolas Lausch, Alexander L. M. Knoll, Moritz R. Schäfer, Gunnar Schmitz and Jörg Behler, Ruhr-Uni Bochum) PR #4785
• Add pair styles coul/cut/soft/gapsys and lj/cut/soft/gapsys to FEP package (Evangelos Voyiatzis, National Technical University of Athens) PR #4941 and PR #4985
• Add bond valence and bond valence vector pair styles (Peter Chun Pang Li, Chuanfu Luo, Shi Liu) PR #4225
• Add bond style quartic/exp (Matthew Kroonblawd, LLNL) PR #4935
• Add a history keyword to fix store/state to store a rotating buffer of states with the fix (Steve Plimpton) RP #4736
• Add support for charge-charge and charge-dipole interactions to pppm/dipole (Trung Ngyen, U Chicago) PR #5059
• Refactor color management to avoid that lists of colors contain stale pointers (Axel Kohlmeyer, Temple U) PR #4954
• Refactor memory management for variables (Axel Kohlmeyer, Temple U) PR #4991
• Refactor EAM pair styles for better code sharing and simpler inheritance (Axel Kohlmeyer, Temple U) PR #5031
• Fix bugs for unions or intersections of regions that may be translated or rotated, enforce that all move the same way (Joel Clemmer, SNL) PR #4975
• Support neighbor list binning using a hash table for dilute and highly polydisperse systems to avoid crashes due to integer overflows or lack of RAM (Joel Clemmer, SNL) PR #4977
• Improved neighbor list configuration output for neighbor list style multi (Joel Clemmer, SNL) PR #4938
• Improved implementation for the bpm/rotational bond style that addresses particle ordering dependencies in force and torque calculations. (Gabriel Alkuino and Teng Zhang, SyracuseU and Joel Clemmer ,SNL) PR #4945
• Remove support for obsolete Intel Xeon Phi and KNL/MIC hardware from the INTEL package (Axel Kohlmeyer, Temple U) PR #5001
• Support slab correction with triclinic cells (Axel Kohlmeyer, Temple U, KOKKOS support by Stan Moore, SNL) PR #5002
• Support triclinic cells with pppm/disp (Axel Kohlmeyer, Temple U) PR #5060
• Port kspace style ewald to the GPU package (Axel Kohlmeyer, Temple U) PR #5019
• Add Howto document and python script to explain how to model dual-band EAM module with pair style eam/fs and pair style hybrid/overlay (Axel Kohlmeyer, Temple U) PR #5039
• Add unit testing infrastructure for testing and validating granular/DEM models (Axel Kohlmeyer, Temple U) PR #5008
• Enhancement to unit testing for force styles to enable testing the KOKKOS package with Serial, OpenMP, CUDA, HIP, SYCL backends while also the GPU package is tested. Support single and mixed precision tests and add a workflow for a post-merge CPU KOKKOS check (Axel Kohlmeyer, Temple U) PR #5035
• Many small bug fixes, minor code improvements and refactoring, and updates for coding style, build system, testing, documentation, and formatting (multiple authors): PR #4936, PR #4948, PR #4949, PR #4950, PR #4955, PR #4957, PR #4959, PR #4965, PR #4968, PR #4979, PR #4981, PR #4983, PR #4996, PR #5004, PR #5006, PR #5007, PR #5011, PR #5012, PR #5014, PR #5018, PR #5021, PR #5025, PR #5029, PR #5036, PR #5038, PR #5042, PR #5046, PR #5052, PR #5053, PR #5057, PR #5066, PR #5068

Backward compatibility notes:

• There are more default colors, so dump image output that uses per-type colors may look different if the colors are not customized
• The restart format for fix gjf and fix press/berendsen has changed
• The restart format for pair style tracker has changed

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Full Changelog: patch_30Mar2026...patch_4Jul2026

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Information on the files attached to this release:

• lammps-src-4Jul2026.tar.gz - source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-4Jul2026.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_4Jul2026.pdf - LAMMPS manual as PDF
• lammps-gui-manual-v3.0.1.pdf - Manual for LAMMPS-GUI version v3.0.1 as PDF
• The following packages contain LAMMPS 4Jul2026 and LAMMPS-GUI v3.0.1 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-4Jul2026.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 22.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-4Jul2026.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-4Jul2026.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-x64-GUI-4Jul2026.exe - Installer package for 64-bit x86 Windows 10 or later. NOTE: the attached Windows installer below is missing two DLL files, the link here, however, points to a corrected package that has been uploaded to https://rpm.lammps.org/windows/

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library (version 4 Jul 2026 or later) please go to the LAMMPS-GUI release page

Update 4 for Stable release 22 July 2025

This is the fourth update to the 22 July 2025 stable release that fixes bugs that have been reported since the third update and backported from the development version.

The following individual changes are included:

• remove incorrect field type override in read_dump
• avoid getting stuck in fix gcmc translation attempts within a region
• print warning messages only on MPI rank 0 in fix gcmc
• backport of bugfix from PR #4851 and extension to fix neb/spin
• bugfix for ML-QUIP compilation from PR #4862
• avoid compilation failure for PLUMED package when cross-compiling for Windows
• backport consistent ordering of cross correlators between fix ave/correlate and fix ave/correlate/long from PR #4881
• update window manager hints for LAMMPS-GUI to remove dialog property and maximize button
• backport bugfixes from #4856 and #4772
• bugfix for fix pair that prevented it to work with hybrid pair styles reported in issue #4890
• backport bugfix from #4837
• backport bugfix from #4895
• backport group access bugfix for group2ndx and info from PR #4910
• backport bugfix for gaps between triangles in triangle meshes from PR #4925
• bugfix for single() function in pair style lj/cut/sphere

---

Full Changelog: stable_22Jul2025_update3...stable_22Jul2025_update4

---

Information on the files attached to this release:

• lammps-src-22Jul2025_update4.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-22Jul2025_update4.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_22July2025.pdf - PDF version of full manual for LAMMPS
• lammps-gui-v1.7.4-manual.pdf - Manual for LAMMPS-GUI only extracted from the LAMMPS manual above
• The following packages contain LAMMPS 22Jul2025_update4 and LAMMPS-GUI v1.7.4 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update4.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 20.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update4.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-22Jul2025_update4.dmg - DMG installer for macOS version 12 (Monterey) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-64bit-GUI-22Jul2025_update4.exe - Installer package for 64-bit x86 Windows 10 or later (may work on older Windows versions)

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library please go to the LAMMPS-GUI release page. Standalone LAMMPS-GUI versions prior to 1.8.4 are not compatible with this release, all later 1.x.y versions are. LAMMPS-GUI version 2.x requires at least the 30 March 2026 LAMMPS version.

Feature release 30 March 2026

This release includes the following changes:

• Add support for calculation of conservative AP potentials to the APIP package (David Immel, Rolf Drautz, Godehard Sutmann, JSC, Juelich and ICAMS, Bochum) PR #4869
• Add support for superellipsoid granular particles (Jacopo Bilotto, EPFL and Jibril B. Coulibaly, Joel Clemmer, SNL) PR #4897
• Matrix free option for fix qeq/reaxff and device-resident reverse communication for fixes (Even Weinberg and Balint Joo, NVIDIA) PR #4888
• Add ClassII-xe angle and dihedral styles to the CLASS2 package (Josh Kemppainen, Michigan Tech) PR #4904
• Add options for volume and area preserving barostats to Nose-Hoover barostats (Germain Clavier, Uni Caen, and Shern Tee, Griffith University) PR #4680
• Add KOKKOS version of pair style lj/cubic (Aidan Thompson, SNL) PR #4883
• Add KOKKOS version of dihedral style nharmonic (Axel Kohlmeyer, Temple U) PR #4933
• Implement coloring options "atom" and "index" for line, tri, and (super)ellipsoid particles so they can be colored by property and more (Axel Kohlmeyer, Temple U) PR #4905
• Add rounded triangle graphics primitive and apply to multiple cases where triangle meshes are used, e.g. ellipsoids, superellipsoids or isosurfaces for smooth instead of edgy surfaces (Axel Kohlmeyer, Temple U) PR #4925
• Add new keywords "within" and "exclude" to the group command for dynamic groups (Axel Kohlmeyer, Temple U) PR #4902
• Use std::format instead of fmt::format when compiling for C++20 or later with a compatible compiler. Refactor existing code to be compatible with std::format (Axel Kohlmeyer, Temple U) PR #4885
• Enhancements for the MBX package (Henry Agnew, UCSD and Axel Kohlmeyer, Temple U) PR #4889
• Add option to molecule command to derive angles, dihedrals, and impropers from bonds and infer their types from atom typelabels. Also provide runtime check to labelmap command to check for the required consistency (Aya Salama, Jake Gissinger, Stevens Institute of Technology) PR #4894, PR #4916
• Add support to request energy only computations from force styles and apply this to multiple MC package fixes. (Axel Kohlmeyer, Temple U) PR #4914
• Update of the KIM package for the latest release of OpenKIM API including some documentation, CMake, and unit test updates (Ilia Nikiforov, UMN) PR #4908
• Switch form MD5 to SHA-256 for integrity checks of downloaded files (Axel Kohlmeyer, Temple U) PR #4909
• Many small bug fixes, minor code improvements and refactoring, and updates for coding style, build system, documentation, and formatting (multiple authors): PR #4818, PR #4882, PR #4887, PR #4896, PR #4896, PR #4898, PR #4900, PR #4901, PR #4903, PR #4910, PR #4913, PR #4917, PR #4922, PR #4924, PR #4927

Backward compatibility notes:

• When compiling with C++20 or later enabled and using a fully C++20 compliant compiler, external code may encounter issues with missing include statement, since #include <fmt/format.h> would implicitly use #include <cstring> and #include <cmath> for example. These must be included explicitly in any .cpp file using functions declared in those header files.
• Pair style born/coul/long/cs/gpu does not work reliably with single precision and thus now aborts with an error under these circumstances
• Binary restart files changed in an incompatible way when dihedral styles fourier or nharmonic are used or fix style gcmc

---

Full Changelog: patch_11Feb2026...patch_30Mar2026

---

Information on the files attached to this release:

• lammps-src-30Mar2026.tar.gz - source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-30Mar2026.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_30Mar2026.pdf - LAMMPS manual as PDF
• lammps-gui-manual-v1.12.0.pdf - Manual for LAMMPS-GUI version v1.12.0 as PDF
• The following packages contain LAMMPS 30Mar2026 and LAMMPS-GUI v1.12.0 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-30Mar2026.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 22.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-30Mar2026.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-30Mar2026.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-x64-GUI-30Mar2026.exe - Installer package for 64-bit x86 Windows 10 or later

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library (version 22 Jul 2025 update 2 or later) please go to the LAMMPS-GUI release page

Feature release 11 February 2026

This release includes the following changes:

• Update bundled Kokkos library to version 5.0.2 (Stan Moore, SNL) PR #4778, PR #4875
• New MBX package which is a wrapper around the MBX library for data driven many-body potentials (Henry Agnew, Francesco Paesani, UCSD, and Chris Knight, ANL) PR #4694 and PR #4871
• Add compute hbond/local to compute hydrogen bonds and output the list as local data (Axel Kohlmeyer, Temple U) PR #4867
• Significant updates to fix nvt/sllod, fix temp/deform, compute temp/deform and related commands for stable integration of the equations of motion in a way which is reversible and energy-conserving ( Stephen Sanderson, University of Queensland) PR #4781
• Add smooth termination of Coulomb integrals in the Streitz-Mintmire method (Roman Gröger, Czech Academy of Sciences) PR #4733
• Add support for use of fix shake with KOKKOS and minimization (Mitch Murphy) PR #4827
• Port minimization style fire to KOKKOS (Mitch Murphy) PR #4851
• Add support for ellipsoid atom style in KOKKOS (Lewis Russell, University of Strathclyde and Stan Moore,SNL) PR #4865
• Add a geometric integrator for overdamped rotational Brownian motion (Artur Straube, Zuse Institute Berlin) PR #4842
• Improved inter-bead communication for fix pimd/langevin (Yifan Li, Princeton) PR #4857
• Add support for wildcard atom types in fix bond/react and add an interface to type label handling that allows to infer bonded interaction type labels from the types of the constituent atom types (Jake Gissinger, Stevens IoT) PR #4822, PR #4879
• Significant enhancements to dump image (and dump movie) (Axel Kohlmeyer, Temple U) PR #4812 and others:
  • added an approximation to transparency (via "screen-door transparency" using a 16x16 Bayer matrix)
  • added support for visualizing data from fixes to: fix indent, fix reaxff/bonds, fix smd/wall_surface, fix wall/lj93, fix wall/lj126, fix wall/lj1043, fix wall/colloid, fix wall/gran, fix wall/harmonic, fix wall/harmonic/outside, fix wall/lepton, fix wall/morse, fix wall/reflect, fix wall/reflect/stochastic, and fix wall/table
  • added support for highlighting atoms involved in MC processes in fix atom/swap', fix bond/break', fix bond/create, fix bond/create/angle, fix mol/swap, and fix neighbor/swap (PR #4874)
  • several bugfixes
  • added a new fix graphics/objects command to place some graphics objects into the visualization including a progress bar and arrows
  • updates to body styles rounded/polygon and rounded/polyhedra to display faces plus code refactor (PR #4817)
  • support for ellipsoid particles through using triangle meshes (same as regions) also (PR #4817)
  • added a new fix graphics/arrows command to display per -atom or pre-chunk arrows (PR #4819)
  • added a new fix graphics/isosurface command to display isosurfaces of per-atom data and output them to STL files (PR #4823)
  • added a new fix graphics/labels command to display images or text inside the visualization (PR #4826 and PR #4848)
  • added a new fix graphics/lines command to display traces of averaged atom positions (aka trajectory lines) (PR #4876)
  • added a new fix graphics/periodic command to display periodic images of atoms and bonds (PR #4825)
  • added support for compute styles providing graphics objects to dump image and apply to new compute hbond/local (PR #4867)
  • added support for highlighting atoms in a reaction with fix bond/react (PR #4870)
  • added a "Advanced Graphics Howto" and visualization for plane regions (PR #4820)
  • added an option to dump image to create a vertical background gradient instead of a plain background (PR #4823)
  • consolidate generation of high-level graphics objects in an ImageObjects namespace and move to a separate file (PR #4820)
• Add support for compression with brotli and 7-zip through command line tools, add compression to write_data (Axel Kohlmeyer, Temple U) PR #4810
• Remove obsolete AMBER-to-LAMMPS python2 scripts and add Howto for using the external AMBER2LAMMPS software (Arun Sridhar, Heriot-Watt University) PR #4824
• Many small bug fixes, minor code improvements and refactoring, and updates for coding style, build system, documentation, and formatting (multiple authors): PR #4807, PR #4808, PR #4809, PR #4811, PR #4816, PR #4818, PR #4833, PR #4837, PR #4845, PR #4856, PR #4861, PR #4864, PR #4878, PR #4880, PR #4881

Backward compatibility notes:

• Since the Kokkos library version 5.0.0 and later dropped support for building with GNU make, the KOKKOS package in LAMMPS now also only supports building with CMake. The corresponding traditional GNU make build system files were removed or changed accordingly.
• As of version 5.0.0 Kokkos requires at least C++20
• The dump image and dump movie commands are now part of the new GRAPHICS package and thus the package must be installed to have access to them. It was added to the "basic" (and "most") preset and make yes-basic (and make yes-most), so this will affect few users
• The zcylinder keyword was removed from fix wall/gran since it is obsoleted by fix wall/gran/region which is more flexible.
• The amber2lammps.py, dump2trj99.py, and dump2trj.py scripts have been removed from the distribution. They were unmaintained, obsolete, and require Python 2.
• Since the new kick flag of fix nvt/sllod defaults to yes when using lab-frame velocity, scripts which previously applied the velocity profile manually would need to either stop doing that or set kick no.
• Previous scripts will also generate a warning about fix deform being applied at the end of the step, and suggest setting nevery = 0 in fix deform to correct the issue.
• With fix nvt/sllod now having compute temp/deform as a hard requirement, scripts which used some other velocity bias will need to adapt by setting that bias via the new temp argument of compute temp/deform.

---

Full Changelog: patch_10Dec2025...patch_11Feb2026

---

Information on the files attached to this release:

• lammps-src-11Feb2026.tar.gz - source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-11Feb2026.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_11Feb2026.pdf - LAMMPS manual as PDF
• lammps-gui-manual-v1.9.1.pdf - Manual for LAMMPS-GUI version v1.9.1 as PDF
• The following packages contain LAMMPS 11Feb2026 and LAMMPS-GUI v1.9.1 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-11Feb2026.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 22.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-11Feb2026.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-11Feb2026.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-x64-GUI-11Feb2026.exe - Installer package for 64-bit x86 Windows 10 or later

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library (version 22 Jul 2025 update 2 or later) please go to the LAMMPS-GUI release page

Update 3 for Stable release 22 July 2025

This is the third update to the 22 July 2025 stable release that fixes bugs that have been reported since the second update and backported from the development version.

The following individual changes are included:

• Update list of installed header files and generated CMake configuration files
• Improvements and corrections for creating binary packages on Linux
• Backport INTERLAYER package bugfix
• Backport KOKKOS MEAM hybrid indexing bugfix
• Backport of GPU package corrections to exclusion handling and similar from upstream
• backport pair hybrid and bond hybrid extra value bugfix from upstream
• Bugfix for fix rigid/small with langevin option
• Bugfix for set image. Fixes #4834
• Bugfix for compiling SCAFACOS package
• Correctly accept kspace_modify splittol which was named eigtol in the source code
• avoid segfault when using fix shake during minimization without stats output
• Disallow use of INTEL package pair styles with MC package fixes that call Pair::compute()
• Add GitHub workflow for testing compilation with GNU make build system
• Reduce ccache sizes for GitHub runners to 3GB
• Backport CMake and packaging corrections from upstream
• Backport of LAMMPS-GUI fixes and selected improvements from upstream and label version as 1.7.3
• only use version dates on stable and release branch manual output, otherwise use Development or Maintenance
• use branch names when selecting the version of the online manual, add source snapshot download

---

Full Changelog: stable_22Jul2025_update2...stable_22Jul2025_update3

---

Information on the files attached to this release:

• lammps-src-22Jul2025_update3.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-22Jul2025_update3.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_22July2025.pdf - PDF version of full manual for LAMMPS
• lammps-gui-v1.7.3-manual.pdf - Manual for LAMMPS-GUI only extracted from the LAMMPS manual above
• The following packages contain LAMMPS 22Jul2025_update3 and LAMMPS-GUI v1.7.3 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update3.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 20.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update3.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-22Jul2025_update3.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-64bit-GUI-22Jul2025_update3.exe - Installer package for 64-bit x86 Windows 10 or later (may work on older Windows versions)

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library please go to the LAMMPS-GUI release page. Standalone LAMMPS-GUI versions prior to 1.8.4 are not compatible with this release, all later versions are.

Feature release 10 December 2025

This release includes the following changes:

• Update bundled Kokkos library to version 4.7.1 (Stan Moore, SNL) PR #4700
• Improve support for hybrid atom styles in KOKKOS package (Stan Moore, SNL) PR #4772
• Add new command write_molecule (Axel Kohlmeyer, Temple U) PR #4735
• Add comprehensive FFT testing for KSPACE/KOKKOS (Michael Lostica) PR #4728
• Add support for non-blocking FFT communication (Nick Hagerty, ORNL) PR #4789
• Add support for > 2B rigid bodies to fix rigid/small (Michael Lostica) PR #4755
• Add auto keyword for thermo output to have some more informative output about what is computed instead of the ID and a number (Jake Gissinger, Stevens IoT) PR #3764
• Add new pair style for van der Waals interactions at transition-metal dichalcogenide / metal interfaces (Wengen Ouyang, Wuhan University and Xiaohui Duan, Shandong University) PR #4780
• Add new fix style ttm/thermal (Bradly Baer and Greg Walker, Vanderbilt) PR #4689
• Add new fix style wall/harmonic/outside (Eddy Barraud) PR #3899
• Add new fix style align/self for self-propelled particles (Jeremy Fersula, Sorbonne) PR #4792
• Add new fix styles settorque/atom and addtorque/atom for manipulating per particle torque (Joel Clemmer, SNL) PR #4795
• Add KOKKOS support to pair style hybrid/scaled (Meg McCarthy, SNL) PR #4664
• Add KOKKOS support to compute temp/com (Stan Moore, SNL) PR #4768
• Add KOKKOS support for dihedral style fourier, improper style cvff and fix external (Stan Moore, SNL and Axel Kohlmeyer, Temple U) PR #4796
• Add more parallelization to pack/unpack for ML-IAP with KOKKOS (Chuck Witt, Harvard) PR #4744
• Add feature to output file with deleted molecules in JSON format to fix reaxff/species (Jake Gissinger, Stevens IoT) PR #4640
• Add feature to delete whole molecules in fix reaxff/species (Jake Gissinger, Stevens IoT) PR #4775
• Add feature to output file with reactions as molecules in JSON format to fix bond/react (Jake Gissinger, Stevens IoT) PR #4802
• Fix bond/react refactor and some argument adjustments (Jake Gissinger, Stevens IoT) PR #4750
• Multiple updates to fix pimd/langevin (Yifan Li and Kehan Cai, Princeton) PR #4722, PR #4756
• Fix srd bugfix for periodic boundaries and add unbiased thermostat (Victor Taenzel, University of Freiburg) PR #4590
• Provide access to constraint/restraint force in fix shake/rattle (Axel Kohlmeyer) PR #4760
• Bugfix for buffer overflows when using too many bonds, angles, dihedrals, or impropers per atom (Axel Kohlmeyer, Temple U) PR #4749
• Bug fixes and improvements for the GPU package (Trung Nguyen, U Chicago) PR #4764
• Update and improve support of bounding boxes for dynamic regions and fully support visualization of them in dump image/movie (Axel Kohlmeyer, Temple U) PR #4769
• Correct issues with generated CMake files and copied headers during "cmake --install" (Axel Kohlmeyer, Temple U) PR #4776
• Add instructions for GitHub Copilot code generation and code reivew (GitHub Copilot and Axel Kohlmeyer, Temple U) PR #4739
• Many small bug fixes, minor code improvements and refactoring, and updates for coding style, build system, documentation, and formatting (multiple authors): PR #4707, PR #4715, PR #4719, PR #4729, PR #4731, PR #4732, PR #4734, PR #4738, PR #4740, PR #4742, PR #4747, PR #4761, PR #4762, PR #4766, PR #4768, PR #4771, PR #4773, PR #4777, PR #4791, PR #4800, PR #4805

Backward compatibility notes:

• The fix addtoque command was renamed top fix addtorque/group to avoid confusion with the newly added fix addtorque/atom

---

Full Changelog: patch_10Sep2025...patch_10Dec2025

---

Information on the files attached to this release:

• lammps-src-10Dec2025.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-10Dec2025.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• Manual_10Dec2025.pdf - LAMMPS manual as PDF
• lammps-gui-manual-v1.9.0.pdf - Manual for LAMMPS-GUI version v1.9.0 as PDF
• The following packages contain LAMMPS 10Dec2025 and LAMMPS-GUI v1.9.0 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-10Dec2025.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 22.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-10Dec2025.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-10Dec2025.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-x64-GUI-10Dec2025.exe - Installer package for 64-bit x86 Windows 10 or later (may work on older Windows versions)

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library (version 22 Jul 2025 update 2 or later) please go to the LAMMPS-GUI release page

Update 2 for Stable release 22 July 2025

This is the second update to the 22 July 2025 stable release that fixes bugs that have been reported since its release and backported from the development version.

The following individual changes are included:

• make LAMMPS-GUI compatible with Qt-5.12 for building pre-compiled packages on Ubuntu 20.04LTS
• backport multiple LAMMPS-GUI bugfixes from upstream and step version to 1.7.2
• make CMake script code for generating headers with OpenCL kernels compatible with pathnames containing blanks
• fix off-by-one error when reporting multi-cutoff status
• fix bugs when reading angle, dihedrals, and impropers into a molecule template from JSON file
• improve confusing error message from read_dump during rerun
• error out when read_dump tries to create an atom with an out-of-range type
• fix bug in dump style extxyz that would prevent it from working with multiple MPI processes
• fix STORE/ATOM and STORE/GLOBAL ignore groups and thus are compatible with dynamic groups
• Fix incompatibilities with CUDA 13 runtime API in Kokkos lib (cherry-picked from upstream Kokkos, see kokkos/kokkos#8328)
• Fix bug in KOKKOS pair settings, where nargs was hardcoded to 1, which could mess up the cutoff distance if independent cutoffs were set for LJ and Coulomb
• fix incorrect use of address-of for 2d-arrays in AtomVecDielectric, AtomVecDipole, and AtomVecSpin. Only happens with general triclinic...
• reset eval_in_progress status when recreating variables
• fix data initialization indexing bug when overwriting internal style variables
• backport refactor from PR #4731 which includes a bugfix to add gravity during setup().
• backport of exchange communication buffer bugfix from PR #4749
• backport of bugfixes for RHEO, GRANULAR, and other packages from PR #4729 and PR #4766
• backport fixes for the GPU package from PR #4764
• don't provide bounding box information for variable shape or dynamic regions
• run some automated tests using GitHub runners also on "maintenance" branch
• Fix bug in fix langevin/kk
• Prevent race condition with Kokkos reverse comm and GPU-aware MPI

---

Full Changelog: stable_22Jul2025_update1...stable_22Jul2025_update2

---

Information on the files attached to this release:

• lammps-src-22Jul2025_update2.tar.gz - LAMMPS source code with translated manual in HTML and PDF format included
• lammps-linux-x86_64-22Jul2025_update2.tar.gz - Fully static LAMMPS binaries for all Linux machines with x86_64 CPUs
• The following packages contain LAMMPS 22Jul2025_update2 and LAMMPS-GUI v1.7.2 pre-compiled in different packaging formats
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update2.tar.gz - Binaries with required libraries included using wrapper scripts. Compatible with Ubuntu 20.04LTS or later and equivalent Linux distributions
  • LAMMPS-Linux-x86_64-GUI-22Jul2025_update2.flatpak - Linux binaries in flatpak bundle format and desktop integration
  • LAMMPS-macOS-multiarch-GUI-22Jul2025_update2.dmg - DMG installer for macOS version 11 (Big Sur) or later. Includes support for Intel and Apple CPUs
  • LAMMPS-Win10-64bit-GUI-22Jul2025_update2.exe - Installer package for 64-bit x86 Windows 10 or later (may work on older Windows versions)

If you are looking for a pre-compiled LAMMPS-GUI version that can load a custom compiled LAMMPS shared library please go to the LAMMPS-GUI release page. LAMMPS-GUI versions 1.8.0 to 1.8.3 are not compatible with this release, but versions 1.8.4 and later are.