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88f7e4c7b6
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After running "make fix-whitespace"
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2022-08-22 21:41:12 -05:00 |
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4d8dc03a3f
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Edits to fix.rst and additions for missing styles
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2022-08-22 21:13:59 -05:00 |
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bc3a673e89
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Merge branch 'lammps:develop' into doc-fixes
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2022-08-22 20:01:28 -05:00 |
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b96398e5e9
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Minor edits to doc pages for echo group if
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2022-08-21 22:19:30 -05:00 |
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2259947d52
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Edits to documentation files for consistency and math
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2022-08-19 23:49:44 -05:00 |
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de0b7bf737
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Tweaks to documentation to make it more consistent and machine-readable
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2022-08-19 19:25:15 -05:00 |
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66bbfa67dc
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Merge pull request #3406 from Vikingat-RAGE/develop
Fix vim syntax to handle switching color themes
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2022-08-19 11:24:21 -04:00 |
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d32b303a82
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Finished edits on computes (whew!); builds with no errors or warnings
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2022-08-19 00:25:06 -05:00 |
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1e5ca42dfa
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small update
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2022-08-18 21:48:09 -04:00 |
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d03f0a6716
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More cosmetic edits to documentation
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2022-08-18 19:25:06 -05:00 |
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8a9cd4b2b5
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Merge branch 'lammps:develop' into doc-fixes
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2022-08-18 17:48:47 -05:00 |
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1b979be939
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Merge pull request #3392 from akohlmey/minimize-neighbor-check
Update test for neighbor list settings during minimization
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2022-08-17 20:55:23 -04:00 |
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c3f57037e6
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Merge pull request #3391 from akohlmey/refactor-find-xxx
Continued refactoring of internal APIs and their use
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2022-08-17 19:37:20 -04:00 |
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f199e45762
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Merge pull request #3244 from akohlmey/shake-with-minimize
Enable use of fix shake or fix rattle during minimization
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2022-08-17 18:02:40 -04:00 |
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93c7dab931
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Fixed filetype.vim
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2022-08-17 14:08:38 -07:00 |
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d1e0af7ef5
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discuss why one would want to use check = no during minimization
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2022-08-17 16:00:00 -04:00 |
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8e4b79dfa8
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Merge branch 'refactor-find-xxx' of github.com:akohlmey/lammps into refactor-find-xxx
# Conflicts:
# src/fix_temp_rescale.cpp
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2022-08-17 15:52:02 -04:00 |
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da0bc7e0e9
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whitespace
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2022-08-17 15:48:47 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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20b87d3cd4
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Merge pull request #3398 from hammondkd/cite-reminders
Cite reminders
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2022-08-17 15:40:35 -04:00 |
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ca4f7b6579
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Merge pull request #3399 from akohlmey/lookup-molecules
Refactor access to molecule templates
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2022-08-17 15:29:11 -04:00 |
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daa6b78c43
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update documentation
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2022-08-17 15:22:59 -04:00 |
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7879a4f837
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Fix vim syntax to handle switching color themes
- filetype.vim includes *.in files as lammps input files
- syntax.vim defines the syntax links rather than just creating them
once
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2022-08-17 12:03:10 -07:00 |
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6e8db537c9
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Merge pull request #3400 from vpalkar/unit-tests
Adding unit tests and improving errors in region commands
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2022-08-17 13:19:27 -04:00 |
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9c211d836c
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Merge pull request #3403 from crackboy88/improve-errors
improve error messages
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2022-08-17 12:21:40 -04:00 |
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8d2fba9197
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modernize fixes langevin, press/berendsen, temp/berendsen, temp/rescale
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2022-08-17 06:57:38 -04:00 |
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6aa1d1fb95
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Edited compute reduce and reduce/chunk to make easier to parse and more consistent
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2022-08-16 23:26:13 -05:00 |
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8dbe981a1a
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modernize fix vector
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2022-08-16 22:56:29 -04:00 |
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fe8a7a3799
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Math replacements; code-block LAMMPS; clarity and parsing-friendly edits
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2022-08-16 20:29:12 -05:00 |
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180e0125ce
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Improved fix wall/reflect changes
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2022-08-17 08:38:43 +08:00 |
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301d379db8
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Merge branch 'develop' into refactor-find-xxx
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2022-08-16 18:05:33 -04:00 |
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0cac041ad4
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avoid segfault when using a custom format with too many format specifiers
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2022-08-16 18:03:07 -04:00 |
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d8706ab0cb
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Merge branch 'unit-tests' of github.com:vpalkar/lammps into unit-tests
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2022-08-16 17:03:11 -04:00 |
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5cdc09d9c7
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updated region_intersect and region_union to use utils missing cmd args
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2022-08-16 16:59:12 -04:00 |
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559ced9869
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updated error messages and test for region.cpp
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2022-08-16 16:52:19 -04:00 |
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0b047ba22b
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improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
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2022-08-16 20:33:22 +08:00 |
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953f63bb8f
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More math and code-block edits
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2022-08-15 23:48:30 -05:00 |
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288dd03ee2
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Merge branch 'lammps:develop' into doc-fixes
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2022-08-15 21:13:32 -05:00 |
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3f9daa8608
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whitespace fixes
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2022-08-15 21:48:01 -04:00 |
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b4cdf5ce23
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Updates to fix code-block at top, math, and anything else I found
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2022-08-15 20:17:36 -05:00 |
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bec86f3f04
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added some death tests and more readable code for some error messages
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2022-08-15 16:16:48 -04:00 |
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43726c020a
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Merge pull request #3394 from crackboy88/improve-errors
Improve errors
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2022-08-15 15:47:47 -04:00 |
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000c63a7ce
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improved error messages for some more region commands
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2022-08-15 15:12:26 -04:00 |
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c1f81eb640
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improved error messages in a bunch of region commands
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2022-08-15 15:04:18 -04:00 |
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8c83e1f047
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Merge pull request #3401 from efposadac/modernize-legacy
Modernize legacy API calls
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2022-08-15 14:56:57 -04:00 |
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eb600c7b9d
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Merge branch 'lammps:develop' into modernize-legacy
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2022-08-15 10:55:59 -04:00 |
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d9320c61bb
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adding test for fix wall/region
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2022-08-15 02:13:05 -04:00 |
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bf8ff3a8ca
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improved error messages for region cylinder
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2022-08-14 23:27:55 -04:00 |
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d047053473
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improved some error messages in compute_msd,fix_indent and fix_nh.cpp
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2022-08-15 10:51:29 +08:00 |
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29998775f0
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Added a test for region clyinder with an open face
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2022-08-14 22:48:42 -04:00 |
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