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Pull requests: lammps/lammps

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Pull requests list

Add support for extracting a few more properties and the Atom::map() function to the library interface fortran_interface library_interface python_module unittest_feature
#4174 opened May 25, 2024 by akohlmey Loading…
9 of 11 tasks
@stanmoore1
1
Add special variable functions sort() and rsort() for sorting vectors by value enhancement
#4171 opened May 23, 2024 by akohlmey Loading…
9 tasks done
@stanmoore1
1
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
Port hybrid bond topology styles to Kokkos bugfix kokkos_package ready
#4167 opened May 20, 2024 by stanmoore1 Loading…
@stanmoore1
1
Add an interface to machine learning models through metatensor (pair_style metatensor)
#4163 opened May 16, 2024 by Luthaf Loading…
10 of 11 tasks
6
Performance improvements for fix_ipi enhancement neighborlist_feature ready
#4157 opened May 2, 2024 by ceriottm Loading…
5 of 11 tasks
1
@sjplimp
18
Fix CUDA block count limitation in GPU package bugfix gpu_package
#4156 opened May 1, 2024 by tpcbtw Loading…
3 of 11 tasks
@ndtrung81
4
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 work_in_progress
#4145 opened Apr 22, 2024 by jrgissing • Draft
23 of 42 tasks
@jrgissing
2
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
22
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
38
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
Draft: implement super-ellipsoid particle shapes for use in granular simulations granular_package work_in_progress
#4008 opened Dec 11, 2023 by jibril-b-coulibaly • Draft
11 tasks
@sjplimp @jtclemm
4
Add more GH actions enhancement
#3965 opened Nov 5, 2023 by rbberger • Draft
11 tasks
@rbberger
3
Implement reversed harmonic walls enhancement
#3899 opened Aug 23, 2023 by Eddy-Barraud • Draft
11 tasks
@sjplimp
8
informational thermo column titles enhancement work_in_progress
#3764 opened May 2, 2023 by jrgissing • Draft
3 of 14 tasks
@sjplimp
5
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