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68c92f3267
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add new explanation for warning about multiple time integrations
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2025-03-17 12:18:32 -04:00 |
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7f82dcd835
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improve and modernize error messages
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2025-02-14 15:23:16 -05:00 |
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ef1148dfa0
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remove write_data support from BPM bond styles again and consolidate names
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2024-10-27 22:06:56 -04:00 |
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f207a571f3
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allow fix DUMMY to be added without a box
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2024-10-23 21:00:33 -04:00 |
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a88e8757e3
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guard against not setting extscalar, extvector, or extarray when required
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2024-04-22 19:55:52 -04:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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c7996b506a
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make use of Compute::is_initialized() and Compute::init_flags()
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2023-07-20 20:31:48 -04:00 |
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15fb6965c1
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protect more loops for fixes and computes from segfaults
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2023-04-02 22:15:08 -04:00 |
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19683ade92
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avoid segfault when returning list of fixes by style
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2023-04-02 20:09:25 -04:00 |
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41e13e99fb
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avoid uninitialized data access
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2023-03-25 21:50:02 -04:00 |
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72b0a2dfdf
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Merge pull request #3405 from lammps/distributed-grids
Support for distributed grids
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2022-12-19 12:06:25 -05:00 |
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3ce79f8da3
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strip style suffixes when writing restart files if suffixes are enabled
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2022-11-24 11:51:58 -05:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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ccea984c4c
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expand pair_only_flag processing to also apply to other suffix handlers
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2022-10-31 21:47:40 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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aa0bd180d1
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apply clang-format
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2022-10-14 09:24:49 -04:00 |
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e2df4ed2a7
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Merge branch 'develop' into distributed-grids
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
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2022-09-12 18:31:29 -04:00 |
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7e6bd892ed
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apply clang-format
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2022-09-10 03:29:32 -04:00 |
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ccf6c2d55a
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Merge remote-tracking branch 'github/develop' into distributed-grids
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2022-08-18 15:18:27 -04:00 |
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58800b5191
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enable relancing to work with distributed grids
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2022-08-11 13:28:50 -06:00 |
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9bd45e70da
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simplify and modernize
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2022-08-11 03:00:37 -04:00 |
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929734ce45
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Merge remote-tracking branch 'github/develop' into amoeba-ak
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
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2022-04-28 20:08:18 -04:00 |
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26ca371d93
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 23:47:49 -04:00 |
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a90c632ae2
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fix bug when no other post_force fixes are defined
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2022-04-22 17:10:56 -06:00 |
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8cb47c8504
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change update of dynamic groups to post_force location in timestep
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2022-04-21 15:02:47 -06:00 |
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89195363d6
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whitespace
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2022-04-18 21:20:13 -04:00 |
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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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082254455b
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improve confusing error messages
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2022-04-07 00:37:30 -04:00 |
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ab82590437
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change name of 2 new fixes to include amoeba
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2022-03-15 13:40:29 -06:00 |
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1d86b3e270
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reading of bitorsion data file
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2022-03-14 18:08:14 -06:00 |
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bbe065e649
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initial version of fix pitorsion
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2022-03-09 15:37:19 -07:00 |
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5ab9b46b67
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enable and apply clang-format
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2022-02-11 18:04:46 -05:00 |
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a4244eb7ff
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apply simplification suggested by @rbberger
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2022-02-11 17:57:30 -05:00 |
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04cff0b47b
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remove make factory function templates from class and make them static functions
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2022-02-11 16:00:12 -05:00 |
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6b3ddb8a72
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fix logic bug
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2021-10-31 19:29:12 -04:00 |
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2e362b1f3f
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use get_(fix|compute)_by_id() instead of find_(fix|compute)()
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2021-10-20 06:56:46 -04:00 |
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597ee207b1
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remove now obsolete find_fix_by_style() and find_compute_by_style() members
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2021-10-19 12:37:02 -04:00 |
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5b40e4cb38
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new accessor APIs for fixes and computes in Modify plus a few applications
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2021-10-16 06:00:28 -04:00 |
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12406b90a1
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more iwyu header updates
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2021-09-18 21:24:01 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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ffeeb2f977
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simplify
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2021-09-17 19:54:55 -04:00 |
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3d34ee5087
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Merge branch 'master' into fix-ttm-grid
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2021-08-24 11:34:27 -06:00 |
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0dea376e1a
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restart support for TTM fixes
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2021-08-23 14:56:33 -06:00 |
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f6874af7e5
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pretty
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2021-08-18 18:05:36 -04:00 |
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fe008b93d7
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remove obsolete line
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2021-08-07 10:33:26 -04:00 |
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01f5b7e095
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when creating or replacing a fix or compute, return pointer to new instance
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2021-08-07 10:04:49 -04:00 |
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e789bf8925
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use temporary vector container to avoid explicit delete[]
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2021-08-07 10:04:49 -04:00 |
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