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f4275ae44c
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PIMPLify access to BosonicExchange class
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2025-02-23 12:45:35 -05:00 |
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f1ef94aade
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apply clang-format
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2025-02-23 12:33:26 -05:00 |
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16b2988106
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make filter_args() fully C++ compatible
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2025-02-23 12:32:44 -05:00 |
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35fca290fc
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enumerators must be defined within the scope of the class, not globally
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2025-02-23 12:20:45 -05:00 |
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f29a433fa9
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apply clang-format and follow LAMMPS programming conventions more closely
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2025-02-23 12:12:36 -05:00 |
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0448651a90
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reformatting and correcting doc page issues and appy spelling fixes and false positives
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2025-02-23 12:05:53 -05:00 |
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cef81881f9
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homepage and developer email
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2025-02-23 18:25:13 +02:00 |
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cce060caa8
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file permissions
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2025-02-23 17:53:49 +02:00 |
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e87e6dc5b0
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more
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2025-02-23 17:45:19 +02:00 |
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f46d066e5b
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more
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2025-02-23 17:43:15 +02:00 |
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1cb47dc066
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trailing whitespaces
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2025-02-23 17:40:12 +02:00 |
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63d49f50d1
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Merge branch 'develop' of https://github.com/lammps/lammps into bosonic-pimd-langevin
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2025-02-23 16:54:55 +02:00 |
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c37bc484b6
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added a note about filtered_args in the h file
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2025-02-23 16:47:57 +02:00 |
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d4011262f1
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Made filtered_args in filter function local
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2025-02-23 16:40:04 +02:00 |
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f1e1099ac2
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fix typo
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2025-02-23 04:46:34 -05:00 |
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4d453a65e6
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fix bug in utils::strcompress()
calling back() on empty strings is undefined behavior.
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2025-02-21 23:33:15 -07:00 |
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3141723c24
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restore more compact implementation using fmt::runtime()
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2025-02-21 22:03:27 -05:00 |
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b77c3bf8c7
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make compatible with more strict consteval format requirements of C++20
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2025-02-21 21:54:28 -05:00 |
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1e078665f6
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fix bug in angle style cosine/delta
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2025-02-21 16:18:56 -05:00 |
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29931c030f
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Added a filter of keywords instead of enable_esynch flag
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2025-02-20 16:26:18 +02:00 |
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7952281f78
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Merge branch 'develop' into sync_verlet
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2025-02-19 12:33:54 -07:00 |
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a31f4f79b8
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Merge branch 'develop' into sync_verlet
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2025-02-19 12:32:29 -07:00 |
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632d88912d
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Tweaking synchronization flag checks
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2025-02-19 12:21:42 -07:00 |
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dafbe5541a
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Changing default log to sync on, adding wall
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2025-02-19 12:15:36 -07:00 |
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8641486249
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Swapping nx variable names
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2025-02-19 11:29:40 -07:00 |
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abc8954c5c
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Adding line breaks
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2025-02-19 11:28:05 -07:00 |
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11f66b4da1
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fix copy and paste bug
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2025-02-19 07:36:20 -05:00 |
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fe8ebb308d
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Merge github.com:lammps/lammps into develop
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2025-02-19 12:25:01 +01:00 |
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90c2175056
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Updated rotation and documentation
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2025-02-18 20:16:31 -06:00 |
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d772833f67
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cr
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2025-02-18 23:44:28 +02:00 |
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6fb1f4466c
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fixed_whitespace
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2025-02-18 13:10:07 -06:00 |
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0a1b10faef
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updated version based on feedback
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2025-02-18 12:58:09 -06:00 |
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f0bc9ddcc9
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Merge pull request #4473 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-02-18 12:58:28 -05:00 |
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f5099b7c16
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Update fix_press_langevin.rst to include full equation 13
Completest equation 13 to match the [paper](https://pubs.aip.org/jcp/article/141/19/194108/152571/Constant-pressure-and-temperature-discrete-time) and the [implementation](36e739b734/src/fix_press_langevin.cpp (L485-L487)).
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2025-02-18 17:15:01 +01:00 |
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c19389a205
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bug fix for pointing to the command name
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2025-02-18 10:54:52 -05:00 |
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816fb83d1a
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improve errors for atom_modify
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2025-02-18 00:40:41 -05:00 |
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3138f62ac8
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renumber error 30 to 5 to match list of errors. Update error calls
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2025-02-18 00:26:15 -05:00 |
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0e07eab97f
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add some calls to utils::errorurl(22)
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2025-02-18 00:05:12 -05:00 |
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9be6b5a05b
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improve error handling for thermo output
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2025-02-17 23:43:01 -05:00 |
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fe5d6b154a
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simplify building of mini TOC at the top, renumber and reformat block 22
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2025-02-17 23:42:04 -05:00 |
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1c1749b6bf
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Merge branch 'add-error-explanations' of github.com:akohlmey/lammps into add-error-explanations
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2025-02-17 23:06:44 -05:00 |
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841e459b67
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provide URL to explain fmt::format_error
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2025-02-17 23:05:42 -05:00 |
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25774943d5
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Added advice on error 21
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2025-02-17 17:25:07 -07:00 |
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6f925e12dd
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Merge branch 'develop' into add-error-explanations
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2025-02-17 15:39:22 -05:00 |
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3ed6b617f0
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tweaked number 11
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2025-02-17 13:08:42 -07:00 |
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5d4a277623
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add versionadded tag
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2025-02-16 22:51:00 -05:00 |
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9f02f20023
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add compute vacf/chunk command
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2025-02-16 22:43:28 -05:00 |
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77ab5bd624
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minor rearrangement of if logic
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2025-02-16 14:52:25 +02:00 |
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52437e2152
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Fixed a bug regarding keyword reading in pimdb_langevin; made sure the new esynch keyword in pimdb is not allowed in pimd
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2025-02-16 11:02:15 +02:00 |
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eaf624c0f0
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Merge branch 'develop' into patch-2
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2025-02-15 17:15:33 +01:00 |
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