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0e706d4dcc
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add support for building the PLUMED package as plugin
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2024-06-27 18:14:56 -04:00 |
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a74500f416
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Merge pull request #4205 from akohlmey/next-release
Update version tags for next feature release
patch_27Jun2024
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2024-06-26 23:26:04 -04:00 |
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d47b9c6571
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cosmetic
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2024-06-26 21:49:02 -04:00 |
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e72a786a44
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fix typo
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2024-06-26 19:58:09 -04:00 |
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9d94345f09
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Merge branch 'develop' into next-release
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2024-06-26 19:50:27 -04:00 |
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7b70ad928f
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Merge pull request #4203 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2024-06-26 19:46:21 -04:00 |
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14086cc9ad
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add warning about memory consumption
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2024-06-26 10:50:38 -04:00 |
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25985abfc0
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add version tag
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2024-06-26 09:50:52 -04:00 |
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b1d1213dfd
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reformate, make small corrections, align with other doc files and use sphinx-design to make html more compact
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2024-06-26 07:30:50 -04:00 |
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252f48b2c1
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Mention bonded force field primer from typelabel paper in bioFF howto
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2024-06-26 07:27:11 -04:00 |
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44b66cb56b
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various documentation fixups, dedup references, wrap paragraphs, adjust underlines, add missing index
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2024-06-26 07:26:03 -04:00 |
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8173142950
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Merge branch 'develop' into collected-small-changes
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2024-06-26 06:16:21 -04:00 |
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9ac821b3cb
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protect against 32-bit integer overflow
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2024-06-26 05:07:53 -04:00 |
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acc28e01c3
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Merge pull request #4050 from akohlmey/bioff-doc-updates
Bio force field documentation updates
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2024-06-26 04:27:33 -04:00 |
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da2dc9a154
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handle case of no LAMMPS instance or no simulation box
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2024-06-26 01:30:14 -04:00 |
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89193c8a66
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expand scope of files to ignore that are created by cmake/ctest
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2024-06-25 22:32:51 -04:00 |
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ee85249ad6
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update codeowners
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2024-06-25 20:26:06 -04:00 |
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8d280a73ac
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small programming style updates
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2024-06-25 20:21:51 -04:00 |
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baaa9dbedd
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move initializers for structs from header file to implementation, add constructors
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2024-06-25 20:18:37 -04:00 |
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e5250a76ac
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apply clang-format
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2024-06-25 20:07:34 -04:00 |
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e3fb1f24bd
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Merge branch 'develop' into collected-small-changes
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2024-06-25 19:41:45 -04:00 |
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0b0ec155ca
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whitespace
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2024-06-25 19:40:07 -04:00 |
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03695ac9b1
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remove temporary files
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2024-06-25 19:39:48 -04:00 |
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3323e45372
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Merge pull request #4168 from cesmix-mit/kokkospod
New features for the ML-POD package
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2024-06-25 19:35:08 -04:00 |
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b69e7e03fd
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small fix
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2024-06-25 19:07:59 -04:00 |
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116ac85a34
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use consistent method to silence compiler warnings about unused parameters
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2024-06-25 19:07:50 -04:00 |
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b62a05a147
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fix up garbled references to other doc pages
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2024-06-25 19:06:23 -04:00 |
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8e4ffdc84e
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update docs for fully integrating utils::bounds_typlabel() function
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2024-06-25 18:23:07 -04:00 |
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5cbe85ecf1
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remove redundant error argument (accessible through lmp)
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2024-06-25 18:19:41 -04:00 |
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fcba5ee3c9
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silence compiler warnings and apply clang-format
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2024-06-25 15:01:17 -04:00 |
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fd2eab9924
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Remove commented out code
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2024-06-25 14:53:05 -04:00 |
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94742c043c
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Merge branch 'kokkospod' of https://github.com/cesmix-mit/lammps into kokkospod
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2024-06-25 14:43:02 -04:00 |
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1892ee35d4
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remove printf or replace it with utils:logmsg
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2024-06-25 14:42:57 -04:00 |
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3453f13c2d
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correct capitalization
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2024-06-25 13:33:29 -04:00 |
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125da5723b
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whitespace
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2024-06-25 13:31:33 -04:00 |
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e6e89ec54a
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Merge branch 'develop' into collected-small-changes
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2024-06-25 13:31:15 -04:00 |
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b84c09d30e
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update version tags for next feature release
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2024-06-25 13:30:38 -04:00 |
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8fa0064dc2
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Merge pull request #4204 from lammps/dpd-coul-slater-doc-page
Minor edits to new pair dpd/coul/slater/long doc page
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2024-06-25 13:21:04 -04:00 |
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e830dd9761
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Merge pull request #14 from akohlmey/kokkospod
Update kokkospod branch to upstream and minor cleanups and corrections
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2024-06-25 00:01:25 -04:00 |
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6ef8472481
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Merge commit 'refs/pull/4168/head' of github.com:lammps/lammps into kokkospod
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2024-06-24 23:52:39 -04:00 |
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6b659a6e56
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Remove commented out code and turn off timing
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2024-06-24 22:48:34 -04:00 |
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ebbb2673f1
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Merge branch 'kokkospod' of https://github.com/cesmix-mit/lammps into kokkospod
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2024-06-24 22:34:52 -04:00 |
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e195f1759f
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Remove unused parameters, change command name, and update documentation and examples..
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2024-06-24 22:32:35 -04:00 |
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eb7c6e47ae
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Merge pull request #15 from stanmoore1/kokkospod
Small changes for https://github.com/lammps/lammps/pull/4168
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2024-06-24 21:26:59 -04:00 |
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a2fcec6aaa
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fix typos, spelling, incorrect markup, and correct and add more details for speedup note
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2024-06-24 20:01:41 -04:00 |
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667c673855
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Update docs
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2024-06-24 17:55:28 -06:00 |
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a88a22c36e
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Small cleanup
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2024-06-24 17:52:58 -06:00 |
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d5e5630cc5
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Comment out unused var
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2024-06-24 17:42:17 -06:00 |
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63f61a41dc
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Update .gitignore for POD
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2024-06-24 17:41:21 -06:00 |
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b9a850d93f
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Add logic for GNU Make
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2024-06-24 17:40:47 -06:00 |
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