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a473d6f347
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refactor dump code to no longer need access to internal Modify class data
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2024-01-21 14:42:57 -05:00 |
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a81412f015
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remove MPIIO sources and references to them. update Purge.list and build systems
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2023-08-20 21:51:33 -04:00 |
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a38e0fb47b
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restore clang-format comments
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2023-06-23 08:22:31 -04:00 |
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fcc3c99e2b
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avoid segfaults if a dump is created and followed by run pre no
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2023-06-20 13:31:16 -04:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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73300b080b
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rephrase as requested by @sjplimp
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2023-01-05 22:47:50 -05:00 |
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3e053adfbe
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Print warning about unsorted custom dumps without atom IDs. Explain in manual.
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2023-01-05 22:44:32 -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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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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893586c8eb
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Merge branch 'develop' into fix-pair-dump-skip
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2022-09-12 18:19:12 -04:00 |
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f36c900b6d
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fix memory buffer size issue when using dump_modify image for dump style atom
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2022-09-10 04:54:37 -04:00 |
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f050581363
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move keywords to be sorted alphabetically
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2022-09-10 04:53:38 -04:00 |
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4cca198adf
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fix issues from moving code and incorrect merge conflict resolution
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2022-09-10 04:35:13 -04:00 |
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9e7df0f8e1
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correctly compute communication buffers also for the case that size_one changes
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2022-09-09 18:44:07 -04:00 |
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6898ead5b7
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remove redundant code created by merge
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2022-09-09 18:43:20 -04:00 |
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610848599c
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reappy bugfix that was lost from moving the "colname" section
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2022-09-09 18:42:32 -04:00 |
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7f4fe0d3ad
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whitespace
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2022-09-09 17:29:11 -04:00 |
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80df29a736
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merged in develop
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2022-09-07 14:12:26 -06:00 |
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7bba3c516f
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avoid excess string copy in auto loops
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2022-09-01 16:02:32 -04:00 |
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6a745f40ea
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make bugfix compatible with using a variable for dump_modify every
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2022-08-31 17:19:44 -04:00 |
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673eeff581
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recover dump_modify every behavior
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2022-08-31 14:39:46 -04:00 |
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3292ee8299
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Fixed the last change to modify_params function
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2022-08-14 10:21:49 +08:00 |
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d599a541b5
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improved some error messages in velocity.cpp and dump.cpp
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2022-08-13 19:10:57 +08:00 |
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b8f4efcb6a
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pre-existing bug fix for delay option with dump computes for pe/virial
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2022-07-28 16:53:39 -06:00 |
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348feddcb6
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new fix pair and dump_modify skip commands
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2022-07-28 12:45:20 -06:00 |
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f039c00442
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add dump skip option
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2022-07-27 17:13:46 -06:00 |
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a9c072488a
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fix cut-n-paste error and improve error message
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2022-07-17 11:42:28 -04:00 |
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ff56f75fca
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abort when there was an error writing to the dump file
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2022-06-30 15:57:47 -04:00 |
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b46773e398
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add support for writing a dump file footer
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2022-06-17 15:53:04 -04:00 |
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eb3ee96b9c
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also apply 2 atom minimum to balance() and packing atom IDs
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2022-05-18 14:22:43 -04:00 |
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bfd6efcedb
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no need to sort dump if there are less than 2 atoms
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2022-05-18 13:48:06 -04:00 |
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35dd5bc978
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fix typo
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2022-05-13 03:00:31 -04:00 |
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58093fec99
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accept .lammpsbin in addition to .bin for binary format output
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2022-05-12 15:26:39 -04:00 |
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2b1716cb3a
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fix more bugs with dump_modify every/time
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2022-05-05 00:06:08 -04:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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ce67cb0ca1
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first stab at implementing dump_modify colname
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2022-04-01 07:41:13 -04:00 |
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27d2fab951
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simplify processing for "*" in filenames for embedding timestep by using utility function
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2022-03-29 06:06:48 -04:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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f45663bfc2
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Simplify loop structure to fix issues
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2022-02-04 11:45:28 -08:00 |
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e15ca1eeef
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Fix bug in dump balance
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2022-02-01 10:23:25 -08:00 |
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f6d0be1257
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avoid integer overflow due to precedence
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2022-01-28 17:08:16 -05:00 |
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96502ae49d
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whitespace
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2022-01-28 17:07:03 -05:00 |
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75a00f4d11
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minor cleanup
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2022-01-25 08:52:53 -07:00 |
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64dbce26dc
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Cannot shrink buf
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2022-01-25 08:45:13 -07:00 |
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67af170929
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Sorting is not required for balancing
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2022-01-24 16:22:55 -07:00 |
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cb9ba8c0a3
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Simplify code
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2022-01-24 16:05:27 -07:00 |
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1d60e4c463
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Add docs
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2022-01-24 15:16:49 -07:00 |
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16810b84eb
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Add option to balance dump file output
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2022-01-24 14:35:27 -07:00 |
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