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Pull requests: lammps/lammps

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Pull requests list

Collected small fixes and updates documentation enhancement errors
#4599 opened May 21, 2025 by akohlmey • Draft
4 of 11 tasks
@akohlmey
Small CMake updates cmake
#4597 opened May 15, 2025 by akohlmey • Draft
4 of 8 tasks
@akohlmey
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
@sjplimp
Enable equal- and atom-style variables to invoke Python functions more directly with args enhancement
#4581 opened May 1, 2025 by sjplimp Loading…
11 tasks
@rbberger
10
Update Kokkos library in LAMMPS to v4.6.1 kokkos_package update
#4580 opened Apr 30, 2025 by stanmoore1 Loading…
@stanmoore1
7
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
5
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
New fix set command enhancement
#4567 opened Apr 23, 2025 by sjplimp Loading…
11 tasks
@sjplimp
4
Add support for reading molecule files in JSON format. enhancement
#4547 opened Apr 12, 2025 by salamaaya Loading…
5 of 11 tasks
@jrgissing
42
adaptive-precision interatomic potentials (APIP) enhancement
#4543 opened Apr 10, 2025 by d-immel Loading…
11 tasks
7
Minimal changes needed for FitSNAP-ReaxFF
#4539 opened Apr 7, 2025 by alphataubio • Draft
18 of 23 tasks
3
Third Set of Collected Bug Fixes and Maintenance Updates for 29 August 2024 Stable Release bugfix kokkos_package lammps-gui maintenance mliap_package unittest_feature
#4531 opened Apr 4, 2025 by akohlmey • Draft
5 of 8 tasks
@akohlmey
Add fix ave/moments enhancement
#4527 opened Apr 2, 2025 by martok Loading…
4 of 11 tasks
42
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
add area and volume preserving barostats enhancement
#4419 opened Dec 19, 2024 by srtee Loading…
11 tasks
@athomps
6
Fixes and enhancements for type label support enhancement refactor
#4254 opened Aug 1, 2024 by akohlmey • Draft
9 tasks done
@akohlmey @jrgissing
7
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
Adding variance computation option to averaging fixes enhancement
#4221 opened Jul 3, 2024 by Bibobu • Draft
11 tasks
@Bibobu
7
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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