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Pull requests: lammps/lammps

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Pull requests list

Add ESP: a new FFT-based k-space solver (kspace_style esp) and matching Coulomb pair styles (coul/esp and lj/cut/coul/esp) kspace_package
#4804 opened Dec 9, 2025 by LiangJiuyang • Draft
10 tasks
@stanmoore1
9
GRACE pair style enhancement pace_package
#4799 opened Dec 3, 2025 by yury-lysogorskiy Loading…
8 of 11 tasks
28
[MAINTENANCE] Add Doxygen documentation to core infrastructure classes documentation refactor
#4793 opened Nov 27, 2025 by Copilot AI • Draft
3 of 5 tasks
@akohlmey
2
Integrate new pair style RuNNer for evaluation of high-dimensional neural network potentials. enhancement
#4785 opened Nov 20, 2025 by lxknll Loading…
16 tasks
@lxknll @knlausch
34
Reversible integration of SLLOD enhancement
#4781 opened Nov 19, 2025 by ssande7 Loading…
11 tasks
@ssande7
40
Third Set of Collected Bug Fixes and Maintenance Updates for the 22 July Stable Release bugfix cmake gpu_package interlayer_package kokkos_package maintenance rigid_package user_intel_package
#4779 opened Nov 18, 2025 by akohlmey • Draft
5 of 8 tasks
@akohlmey
Update Kokkos library in LAMMPS to v5.0.0 kokkos_package update
#4778 opened Nov 17, 2025 by stanmoore1 • Draft
@stanmoore1
5
Mesocanonical ensemble Monte Carlo mc_package
#4757 opened Nov 1, 2025 by shivamrkparashar Loading…
7 of 11 tasks
@sjplimp
37
PKG-LDD enhancement
#4737 opened Oct 17, 2025 by Maria-Lesniewski Loading…
11 tasks
@akohlmey
19
Enhancment to fix store/state to store recent history enhancement
#4736 opened Oct 17, 2025 by sjplimp • Draft
11 tasks
@sjplimp
10
Smooth termination of Coulomb integrals in the Streitz-Mintmire method enhancement
#4733 opened Oct 16, 2025 by romangroger Loading…
11 tasks
@akohlmey
11
Gibbs Ensemble Monte Carlo enhancement mc_package
#4718 opened Sep 19, 2025 by andrewykhong Loading…
3 of 11 tasks
@sjplimp
44
MBX package enhancement
#4694 opened Aug 14, 2025 by Miniland1333 Loading…
9 of 11 tasks
@akohlmey
90
ML-IAP with JAX mliap_package work_in_progress
#4691 opened Aug 13, 2025 by wcwitt • Draft
11 tasks
@wcwitt
5
Extend fix property/atom/kk with support for ivector, iarray and darray enhancement
#4690 opened Aug 13, 2025 by rbberger • Draft
11 tasks
@stanmoore1
2
Volume and area preserving barostats option fix_feature
#4680 opened Aug 6, 2025 by Bibobu Loading…
8 of 11 tasks
@Bibobu
9
MLIAP Unified Generalized Interface enhancement kokkos_package mliap_package
#4673 opened Aug 4, 2025 by codeformore Loading…
9 tasks
@stanmoore1
40
New FENIX package enhancement restart_feature
#4652 opened Jul 9, 2025 by Matthew-Whitlock Loading…
9 of 10 tasks
@akohlmey
8
Proposed enhancement to VerletSplit kspace_package replica_package
#4622 opened Jun 11, 2025 by bcdandurand Loading…
11 tasks
@sjplimp
16
compute unit testing / compute pace refactor for FitSNAP PR #278
#4593 opened May 12, 2025 by alphataubio • Draft
13 of 18 tasks
@akohlmey
1
Enhancements to enable more robust NEMD shear of rigid bodies bugfix enhancement rigid_package
#4577 opened Apr 30, 2025 by sjplimp • Draft
11 tasks
@sjplimp
9
EXTRA-COMMAND: read_psf, read_sdf, write_pdb documentation enhancement
#4245 opened Jul 28, 2024 by alphataubio • Draft
15 of 16 tasks
12
Rewrite, modernize and complete cmake install cmake plugin
#4233 opened Jul 14, 2024 by rbberger Loading…
11 tasks
@akohlmey
19
new added pairstyle and their kokkos version for bond valence and bon… enhancement kokkos_package
#4225 opened Jul 5, 2024 by pcplak Loading…
11 tasks
@stanmoore1
60
Add granular surfaces built from triangles (3d) or line segments (2d) work_in_progress
#4213 opened Jul 1, 2024 by sjplimp • Draft
11 tasks
@jtclemm
7
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