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722452657c
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avoid direct access to internal data of Modify class instance
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2024-01-21 12:19:28 -05:00 |
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fd65000afc
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Small refactor
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2023-05-01 13:08:01 -06:00 |
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29a2b58ab6
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Small cleanup
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2023-04-28 14:57:19 -06:00 |
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235372d6e8
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Fuse some Kokkos kernels to reduce launch latency for small systems
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2023-04-28 14:40:59 -06:00 |
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281e67d6fb
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Merge branch 'develop' into distributed-grids
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2022-12-14 18:12:10 -05:00 |
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a3c0be875e
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include-what-you-use updates
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2022-12-11 22:46:54 -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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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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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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8e6b0425f7
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apply clang-format
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2022-05-14 18:01:34 -04:00 |
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bee7b09377
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fix cut-n-paste bug
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2022-05-05 14:05:22 -04:00 |
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6c28b55c13
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return nullptr instead of out-of-range data
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2022-05-05 07:50:45 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -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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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -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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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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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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b8d4030983
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Update more core class destructors
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2022-01-19 13:27:08 -05:00 |
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4f0f791417
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use new API, join loops, modernize
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2021-10-31 17:37:43 -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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06f6434b38
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when creating or replacing a fix or compute, return pointer to new instance
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2021-08-06 13:39:02 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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fbb3bb14af
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synchronize interface to managing computes in Modify with that of fixes
- add find_compute_by_style()
- add delete_compute(int)
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2021-03-18 17:08:49 -04:00 |
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f54fd8fa72
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intial refactoring of THERMO_ENERGY mask
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2021-01-21 10:31:53 -07:00 |
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6e64ce7228
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add Modify::replace_fix() convenience function
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2020-11-01 16:05:41 -05:00 |
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0183e999c9
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consistently return "memory_usage" as double.
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2020-09-15 01:59:58 -04:00 |
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45f80f4f06
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more include file updates found by iwyu
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2020-09-02 22:52:22 -04:00 |
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df29364be8
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simplify find/delete fix/compute functions in modify.cpp
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2020-06-28 18:39:19 -04:00 |
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1ea0eca2a5
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add convenience functions to modify to simplify creation of fixes and computes
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2020-06-26 14:49:53 -04:00 |
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d8ef5f6991
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added internal fix dummy command to enable more control of fix ordering
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2019-11-05 12:57:34 -07:00 |
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4ec3a508fc
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bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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b53df3dd63
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disable optimization on functions building factories for many entries
this will speed up compilation and also avoid spurious warnings with gcc 4.4 and later
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2019-06-06 20:37:17 -04:00 |
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f2113ab04a
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update manual and headers for updated error message
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2019-04-08 07:16:22 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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5221ac2d55
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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01051e4cb1
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refactoring of neighbor history
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2017-10-10 16:53:51 -06:00 |
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23e283f135
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Fixed proper deletion of fixes if fix is NULL
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2017-09-27 16:20:07 +02:00 |
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90ca0852c7
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use "body" list via Fix::extract() to correctly identify atoms in bodies
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2017-06-05 15:48:23 -04:00 |
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95d6f05a76
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add 3 APIs to Modify for checking if atoms overlap with any rigid fixes
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2017-06-05 12:41:37 -04:00 |
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99a68e487f
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fix suffix style handling bug for adding fixes and computes
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2017-05-25 02:01:04 -04:00 |
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dcede304df
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changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
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2017-03-21 08:56:37 -06:00 |
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f6a819580c
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pair TIP4P bug fix for cutoffs >> box size
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2017-01-06 09:57:27 -07:00 |
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04f5eadcf1
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added LAST option to dump_modify thresh, more restart info printed out to screen
|
2016-10-11 12:39:52 -06:00 |
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