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Pull requests: lammps/lammps

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Pull requests list

Fix parallel execution of bonds for compute stress/mop and stress/mop/profile bugfix
#4642 opened Jun 30, 2025 by evoyiatzis • Draft
11 tasks
@akohlmey
JSON output for fix reaxff/species delete keyword
#4640 opened Jun 28, 2025 by jrgissing Loading…
1 of 11 tasks
3
Backport bugfixes from #4608 bugfix kokkos_package
#4638 opened Jun 27, 2025 by stanmoore1 Loading…
@stanmoore1
3
Collected small changes and fixes bugfix documentation maintenance refactor
#4637 opened Jun 26, 2025 by akohlmey Loading…
3 of 11 tasks
@akohlmey
Fourth Set of Collected Bug Fixes and Maintenance Updates for 29 August 2024 Stable Release bugfix maintenance
#4629 opened Jun 14, 2025 by akohlmey • Draft
5 of 8 tasks
@akohlmey
Proposed enhancement to VerletSplit replica_package
#4622 opened Jun 11, 2025 by bcdandurand Loading…
11 tasks
@ndtrung81
7
Roll back neighbor swap changes and flag items that need fixing bugfix
#4615 opened Jun 6, 2025 by akohlmey • Draft
6 of 7 tasks
@akohlmey
3
Tools folder update tools
#4612 opened Jun 2, 2025 by Bibobu • Draft
11 tasks
@Bibobu
1
WIP: fix rigid/small/kk enhancement kokkos_package work_in_progress
#4609 opened May 29, 2025 by anjohan • Draft
2 of 21 tasks
@anjohan
Add support for single precision (FP32) and mixed precision to KOKKOS… enhancement kokkos_package work_in_progress
#4608 opened May 29, 2025 by stanmoore1 • Draft
@stanmoore1
3
SNAP/Kokkos work batching and instruction-level parallelism optimizations kokkos_package
#4601 opened May 23, 2025 by weinbe2 Loading…
4 of 6 tasks
@stanmoore1
compute unit testing
#4593 opened May 12, 2025 by alphataubio Loading…
13 of 18 tasks
1
Create kokkos version of fix electron stopping enhancement kokkos_package
#4591 opened May 11, 2025 by VeeEM Loading…
7 of 11 tasks
@stanmoore1
Make fix SRD compatible with PBCs & fix deform remap v, and add profile-unbiased thermostat enhancement
#4590 opened May 9, 2025 by taenzel Loading…
11 tasks
1
@sjplimp
4
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
6
Support setting threads per atom with neigh/thread on with the KOKKOS package kokkos_package
#4573 opened Apr 28, 2025 by ndtrung81 Loading…
6 of 11 tasks
@ndtrung81
4
Minimal changes needed for FitSNAP-ReaxFF
#4539 opened Apr 7, 2025 by alphataubio • Draft
18 of 23 tasks
3
Implement "condense yes" option for delete_atoms enhancement
#4492 opened Mar 8, 2025 by akohlmey • Draft
8 of 9 tasks
@sjplimp
1
refactor extra/*/types keywords as max values
#4474 opened Feb 17, 2025 by jrgissing • Draft
1 of 15 tasks
[COLLOID] Refactor polydisperse codes to reflect monodisperse code behaviours
#4472 opened Feb 14, 2025 by souvi-lrcs Loading…
5 of 11 tasks
3
WIP: Revise and Modernise MEAM meam_package
#4469 opened Feb 10, 2025 by martok • Draft
18 tasks
4
New CHARMM package documentation enhancement
#4245 opened Jul 28, 2024 by alphataubio Loading…
15 of 16 tasks
12
Rewrite, modernize and complete cmake install cmake plugin
#4233 opened Jul 14, 2024 by rbberger Loading…
11 tasks
@rbberger
18
new added pairstyle and their kokkos version for bond valence and bon… enhancement
#4225 opened Jul 5, 2024 by pcplak Loading…
11 tasks
@stanmoore1
19
Add granular surfaces built from triangles (3d) or line segments (2d) work_in_progress
#4213 opened Jul 1, 2024 by sjplimp • Draft
11 tasks
@sjplimp
7
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