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6442e05988
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even more define to static constexpr conversions
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2024-01-25 02:17:28 -05:00 |
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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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2bda147ff5
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since dump image calls functions in thermo, thermo must be delete *after* the dumps
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2023-09-02 18:48:06 -04:00 |
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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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f9ee2ad42b
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reorder thermo and dump output so dump styles include correct thermo data
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2023-05-28 11:49:02 -04:00 |
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f69b50408d
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improve error messages
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2023-05-28 11:47:32 -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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a0760d0ca6
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improve error message
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2023-02-13 10:56:02 -05:00 |
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5ace12e3ef
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nullify freed pointers in list of dump data
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2023-02-03 20:35:47 -05:00 |
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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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ef10719476
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add logic to rerun command to trigger dumps on expected steps or time
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2023-01-05 22:43:40 -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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584ae26fe6
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whitespace
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2022-09-09 12:48:14 -04:00 |
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34d0c417f8
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another indentation reformat
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2022-09-09 10:39:07 -06:00 |
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9bff046190
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fix issue with dump snapshots in a run after a minimize possibly being non-multiples of N
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2022-09-09 10:28:33 -06:00 |
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0b38cbea2d
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add get_dump_by_index() function
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2022-08-11 09:46:22 -04:00 |
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aab62d5ed9
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add get_dump_list() function
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2022-08-11 03:14:59 -04:00 |
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c574ed51b5
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modernize and simplify
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2022-08-11 03:04:58 -04:00 |
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e8e6beed50
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find dump is no longer used
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2022-08-11 01:52:42 -04:00 |
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4077c5c8ba
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add get_dump_by_id() API that mirrors other recent additions
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2022-05-12 14:48:03 -04:00 |
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0577bb6269
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use Output::add_dump() and the dump_creator map and templates etc.
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2022-05-12 14:47:16 -04:00 |
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aff72c56a5
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make Output::add_dump() return pointer to the created dump
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2022-05-12 14:46:02 -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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e897ab7611
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improve error messages
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2022-05-04 16:25:12 -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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4efdfaa8f3
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simplify and make consistent, fix time based dump bug
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2022-04-08 07:05:30 -04:00 |
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f5ebfbf90b
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refactor thermo output processing and add new yaml thermo style
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2022-03-19 16:39:09 -04:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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241a44f1af
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another workaround for rerun
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2022-01-18 04:56:47 -05:00 |
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aa71ea6c40
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2022-01-14 20:25:05 -05:00 |
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e271a54802
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re-enable using rerun after the changes from PR #3052
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2022-01-14 20:25:00 -05:00 |
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11cc8a6a59
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whitespace
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2022-01-14 15:59:05 -05:00 |
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2213eb8d3f
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use enum with symbolic constants instead of numbers
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2022-01-14 14:45:12 -05:00 |
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e5c517c8d8
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silence compiler warnings
|
2022-01-01 00:21:14 -05:00 |
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b39d1993bb
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Merge pull request #3052 from lammps/time-dumps2
Time-dependent dumps for variable timestep (alternate implementation)
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2021-12-23 16:34:12 -05:00 |
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a653ee6b2c
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recover failing unit tests and whitespace fixes
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2021-12-23 15:22:58 -05:00 |
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3748a14582
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warn about problems with the MPIIO package
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2021-12-23 01:59:45 -05:00 |
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ded48cc031
|
more optimizations and extend to other dump styles
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2021-12-21 10:57:42 -07:00 |
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4d31e300c6
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change to checking timestep for time dumps at start of each step
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2021-12-20 16:39:17 -07:00 |
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06c45fbe68
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fix compiler errors
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2021-12-20 14:26:22 -07:00 |
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5ead32f886
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more debugging and features
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2021-12-10 11:13:06 -07:00 |
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e2969d09e1
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bug fix for fix dt/reset freq of 1
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2021-12-09 11:53:47 -07:00 |
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d4149e9139
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bug fixes to make a series of test inputs run correctly
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2021-12-08 16:44:51 -07:00 |
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26492b13d5
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logic for dumps every steps and time delta
|
2021-12-07 13:46:36 -07:00 |
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1afdd3c011
|
new output vars for dumps
|
2021-12-07 09:16:19 -07:00 |
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385220fd4b
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format changes
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2021-09-17 22:50:15 -04:00 |
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09c19a936b
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update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
|
2021-05-05 23:53:38 -04:00 |
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d2cdb318ab
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apply new logmesg() overload to a bunch of cases.
|
2021-04-21 23:38:45 -04:00 |
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