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860a3cbbd3
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add suppressions for dlopen() and friends
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2025-04-06 03:02:34 -04:00 |
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8d5459393f
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Added the plot_forces file from previous PR
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2025-04-05 23:32:36 +02:00 |
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2939e7d509
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Merge branch 'develop' of github.com:lammps/lammps into plot_forces_tool
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2025-04-05 23:28:52 +02:00 |
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0cc6fb8e18
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fix acks2/reaxff/kk should use post_constructor() like base class for order of operations
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2025-04-05 16:36:20 -04:00 |
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3fc0868db9
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enable and apply clang-format
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2025-04-05 15:48:10 -04:00 |
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0bfa5b210b
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plug memory leak
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2025-04-05 15:42:04 -04:00 |
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25f1dac9b6
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more suppressions for MPICH and Kokkos
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2025-04-05 01:42:44 -04:00 |
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7c2ca8c8e5
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must not call plain ev_init() from KOKKOS without setting alloc to 0 to avoid memory leak
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2025-04-05 01:42:18 -04:00 |
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c60bff2b97
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reformat source
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2025-04-05 00:53:28 -04:00 |
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e0847f2195
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fix memory leak in test
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2025-04-05 00:26:20 -04:00 |
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ea76dc99e9
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Adding damp coeff back in
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2025-04-04 15:20:55 -06:00 |
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b9228a854e
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no need to call allocate() of the base class
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2025-04-04 17:17:40 -04:00 |
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be6acff029
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must not allocate eatom and vatom in base class to avoid big memory leak
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2025-04-04 17:17:08 -04:00 |
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bff980b56f
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cutghost is not used anyware; remove to plug memory leaks
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2025-04-04 17:15:56 -04:00 |
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3d4b57d7fd
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Removing old variable
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2025-04-04 14:40:01 -06:00 |
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a970f946a7
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some more MPICH suppressions
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2025-04-04 12:05:58 -04:00 |
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0c71daabbe
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Merge pull request #4530 from akohlmey/collected-small-fixes
Collected small fixes and changes.
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2025-04-04 12:04:46 -04:00 |
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30bbbafd9d
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Cleaning up MDR files
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2025-04-04 09:57:43 -06:00 |
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d1dd05bf4e
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update unit test for quadratic dihedral
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2025-04-04 17:19:54 +02:00 |
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996faf7a94
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update documentation
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2025-04-04 17:11:30 +02:00 |
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3182dc26da
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extract() implementation for dihedral quadratic
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2025-04-04 17:06:29 +02:00 |
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0879548737
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change fix adapt header file
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2025-04-04 17:03:58 +02:00 |
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54d7f46151
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modifications in dihedral & dihedral_hybrid
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2025-04-04 17:00:52 +02:00 |
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ccd6eeb8af
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unit test
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2025-04-04 16:53:57 +02:00 |
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5086c639e2
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improve docs and use dtype as parameter name to avoid confusion with type
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2025-04-04 10:41:35 -04:00 |
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f4f0a22ee1
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improve valgind suppression information and format
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2025-04-04 10:19:38 -04:00 |
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66fbc40944
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add valgrind suppression for Kokkos
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2025-04-04 10:09:33 -04:00 |
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af31dd3a6b
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update suppressions so they work with both the library interface and the standalone executable
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2025-04-04 09:16:23 -04:00 |
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5d32a1e61a
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don't mix malloc() and delete
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2025-04-04 06:53:12 -04:00 |
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50f42f203d
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make consistent, remove ghost member map
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2025-04-04 06:52:02 -04:00 |
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e3016072ad
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Merge branch 'develop' of github.com:lammps/lammps into develop
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2025-04-04 10:22:41 +02:00 |
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d06bfbf180
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add missing index
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2025-04-04 03:41:22 -04:00 |
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a3de234873
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update valgrind suppressions for Fedora 41
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2025-04-04 03:40:25 -04:00 |
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fdf5f8dd22
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avoid division by zero
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2025-04-04 03:39:56 -04:00 |
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cadac64ab6
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plug memory leak detected by coverity scan
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2025-04-04 03:39:39 -04:00 |
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9d61ff4bba
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add support for compiling fully static LAMMPS executable with libcurl
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2025-04-04 00:45:19 -04:00 |
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daf58e72dc
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update for recent changes
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2025-04-03 22:45:37 -04:00 |
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91283d98cc
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allow to set https_proxy via preferences if not set via environment variable
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2025-04-03 22:27:57 -04:00 |
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1892189eaa
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looking for libcurl components fails for some installations
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2025-04-03 18:46:16 -04:00 |
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f447a0476c
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discuss using a proxy with geturl, e.g. on a cluster compute node
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2025-04-03 18:45:14 -04:00 |
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65992f7ba2
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mention LAMMPS tutorial files download support
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2025-04-03 18:44:40 -04:00 |
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999e6d95d4
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list post_constructor methods and modernize description
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2025-04-03 13:47:53 -04:00 |
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384d7f446b
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updated damping in mdr example sims
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2025-04-03 11:56:16 -04:00 |
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609b60c211
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set LAMMPS-GUI version
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2025-04-03 08:56:05 -04:00 |
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216b9218cb
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flag development version
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2025-04-03 08:52:54 -04:00 |
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75e12e2004
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add missing overrides
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2025-04-02 17:11:17 -04:00 |
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7b4c33630d
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Merge pull request #4524 from akohlmey/next_release
Step version strings for next feature release
patch_2Apr2025
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2025-04-02 16:04:25 -04:00 |
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0a7f55688b
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Merge pull request #4463 from bathmatt/lammps-kokkos-mliap-comms
Added code which provides callbacks from external ML-IAP functions to…
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2025-04-02 14:28:24 -04:00 |
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91e4cbb564
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update a couple more pending version tags
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2025-04-02 14:20:57 -04:00 |
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0043bca33d
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Merge branch 'develop' into next_release
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2025-04-02 14:11:45 -04:00 |
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