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Pull requests: lammps/lammps

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Pull requests list

Create new EXTRA-COMMAND package maintenance
#4193 opened Jun 10, 2024 by akohlmey Loading…
8 of 11 tasks
@stanmoore1
6
Update to Plumed interface maintenance
#4192 opened Jun 10, 2024 by gtribello Loading…
11 tasks
@stanmoore1
1
New pair style hybrid/molecular enhancement
#4191 opened Jun 9, 2024 by akohlmey Loading…
13 tasks done
@stanmoore1
1
Improve Kokkos unit testing
#4190 opened Jun 7, 2024 by alphataubio • Draft
5 of 11 tasks
2
Update fep.py tools
#4189 opened Jun 7, 2024 by evoyiatzis Loading…
4 of 11 tasks
3
Dpd charged enhancement gpu_package work_in_progress
#4188 opened Jun 6, 2024 by Eddy-Barraud • Draft
11 tasks
7
Add Kokkos version of pair_style soft enhancement kokkos_package
#4184 opened Jun 4, 2024 by stanmoore1 Loading…
@stanmoore1
Add Kokkos version of spica pair and angle styles enhancement kokkos_package work_in_progress
#4183 opened Jun 3, 2024 by alphataubio Loading…
8 of 11 tasks
@alphataubio
3
Refactor code to use group bitmap accessor refactor work_in_progress
#4182 opened Jun 1, 2024 by akohlmey • Draft
12 of 83 tasks
@akohlmey
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix enhancement work_in_progress
#4181 opened May 31, 2024 by gplummer317 • Draft
11 tasks
@gplummer317
8
Collected small changes and fixes maintenance
#4179 opened May 30, 2024 by akohlmey Loading…
6 of 9 tasks
@stanmoore1
Fourth Set of Collected Bug Fixes and Maintenance Updates for 2 August 2023 Stable release maintenance work_in_progress
#4177 opened May 28, 2024 by akohlmey • Draft
5 of 9 tasks
@akohlmey
CG-DNA: Real units and potential reader documentation enhancement examples
#4169 opened May 22, 2024 by ohenrich Loading…
11 tasks done
New features for the ML-POD package documentation enhancement examples
#4168 opened May 21, 2024 by exapde Loading…
11 tasks done
@stanmoore1
4
Add an interface to machine learning models through metatensor (pair_style metatensor)
#4163 opened May 16, 2024 by Luthaf Loading…
10 of 11 tasks
7
Fix CUDA block count limitation in GPU package bugfix gpu_package
#4156 opened May 1, 2024 by tpcbtw Loading…
3 of 11 tasks
@ndtrung81
5
new comm_style brick/direct option work_in_progress
#4154 opened Apr 29, 2024 by sjplimp • Draft
11 tasks
@stanmoore1
17
Improve type label support enhancement
#4145 opened Apr 22, 2024 by jrgissing Loading…
27 of 42 tasks
@jrgissing
3
Implement kspace_modify collective yes in KOKKOS package enhancement kokkos_package kspace_package
#4143 opened Apr 19, 2024 by hagertnl Loading…
11 tasks
2
@stanmoore1
23
Draft: Use CMake CUDA/HIP language cmake gpu_package kokkos_package work_in_progress
#4128 opened Apr 8, 2024 by rbberger • Draft
11 tasks
@rbberger
Implementation of pair_style uf3 and uf3/kk enhancement
#4110 opened Mar 25, 2024 by monk-04 Loading…
11 tasks done
@stanmoore1
40
Add npair classes for a general pairwise cutoff granular_package neighborlist_feature work_in_progress
#4060 opened Jan 24, 2024 by jtclemm • Draft
11 tasks
@jtclemm
3
Bio force field documentation updates documentation enhancement
#4050 opened Jan 18, 2024 by akohlmey • Draft
5 of 10 tasks
@akohlmey
Update Speed_kokkos.rst (segfault, memory) documentation
#4028 opened Dec 20, 2023 by alphataubio • Draft
6 of 11 tasks
@stanmoore1
hybrid monte carlo mc_package work_in_progress
#4019 opened Dec 15, 2023 by draneyj • Draft
6 of 11 tasks
1
@sjplimp
32
ProTip! What’s not been updated in a month: updated:<2024-05-11.