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Pull requests: lammps/lammps

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Pull requests list

Update Kokkos library in LAMMPS to v4.5.1 kokkos_package update
#4413 opened Dec 13, 2024 by stanmoore1 • Draft
@stanmoore1
1
pair_style d3 - D3 dispersion corrections enhancement
#4410 opened Dec 10, 2024 by soniasalomoni Loading…
11 tasks
@akohlmey
4
pair_style granular - MDR contact model granular_package work_in_progress
#4409 opened Dec 10, 2024 by willzunker • Draft
11 tasks
@jtclemm
vcm example script and log added examples
#4405 opened Dec 7, 2024 by tylercollins5737 Loading…
4 of 11 tasks
1
4
Marked multitype's default constructor as noexcept
#4404 opened Dec 6, 2024 by abkein Loading…
6 tasks done
2
Collected small changes and fixes bugfix documentation maintenance
#4403 opened Dec 6, 2024 by akohlmey • Draft
7 of 8 tasks
@akohlmey
Kokkos versions of bispectrum and Gaussian descriptors on grid
#4401 opened Dec 5, 2024 by RandomDefaultUser Loading…
9 of 11 tasks
@athomps
4
Fix issues in KOKKOS package bugfix kokkos_package
#4399 opened Dec 4, 2024 by stanmoore1 Loading…
@stanmoore1
3
ml-pace: allow linking to existing pace library cmake
#4394 opened Nov 26, 2024 by rbberger Loading…
11 tasks
SNAP/Kokkos CPU+GPU code unification and other optimizations kokkos_package snap_package
#4391 opened Nov 22, 2024 by weinbe2 Loading…
3 of 6 tasks
@stanmoore1
1
Python and library API changes for computes
#4380 opened Nov 12, 2024 by rbberger • Draft
11 tasks
Second Set of Collected Bug Fixes and Maintenance Updates for 29 August 2024 Stable Release bugfix maintenance
#4377 opened Nov 11, 2024 by akohlmey • Draft
4 of 11 tasks
@akohlmey
7
Python interface updates documentation library_interface python_module
#4369 opened Nov 4, 2024 by rbberger Loading…
11 tasks
Revised velocity verlet scheme to prevent unphysical sticking in DEM simulations. granular_package
#4351 opened Oct 7, 2024 by dhairyaiitb • Draft
6 of 11 tasks
@jtclemm
17
Prepare development branch for requiring C++17 and deprecating GNU make support for some packages build_system cmake maintenance
#4344 opened Oct 3, 2024 by akohlmey Loading…
6 tasks done
1
@akohlmey
5
Bond/react: molmap option
#4335 opened Sep 21, 2024 by jrgissing • Draft
11 tasks
documentation style proposal documentation
#4320 opened Sep 10, 2024 by alphataubio • Draft
4 of 11 tasks
1
Add angleoffset for hbond/dreiding/morse and hbond/dreiding/lj enhancement
#4310 opened Sep 1, 2024 by EiPiFun Loading…
11 tasks
1
@akohlmey @megmcca
15
[Work in progress] Solution for the use of fix wall/region in pair lubricate
#4288 opened Aug 20, 2024 by souvi-lrcs • Draft
15 tasks
2
Fixes and enhancements for type label support enhancement refactor
#4254 opened Aug 1, 2024 by akohlmey • Draft
9 tasks done
@akohlmey @jrgissing
7
Improve MOLECULE package documentation enhancement
#4245 opened Jul 28, 2024 by alphataubio • Draft
14 of 19 tasks
@alphataubio
6
Add new fix to compute force and torque due to electric potential enhancement lepton_package
#4241 opened Jul 25, 2024 by gsalkuin Loading…
11 tasks
@akohlmey
35
Rewrite, modernize and complete cmake install cmake plugin
#4233 opened Jul 14, 2024 by rbberger • Draft
11 tasks
@rbberger
2
new added pairstyle and their kokkos version for bond valence and bon… enhancement
#4225 opened Jul 5, 2024 by pcplak • Draft
11 tasks
@stanmoore1
10
Adding variance computation option to averaging fixes enhancement
#4221 opened Jul 3, 2024 by Bibobu • Draft
11 tasks
@Bibobu
4
ProTip! Exclude everything labeled bug with -label:bug.