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cb03f45528
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Some typos
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2024-08-14 21:16:54 +02:00 |
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892d2dda96
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Added mention of the MatSci forum in the Errors_common introduction
section after the section about mailing the devs.
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2024-08-14 20:49:49 +02:00 |
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a91e534eab
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Changed Germain Clavier's mail adress.
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2024-08-14 19:57:48 +02:00 |
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e52c739814
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There are actually 3 scripts in the amber2lmp folder. Is the 99 format
version necessary?
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2024-08-14 19:35:47 +02:00 |
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30208f7173
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Added a tinker section to Tools.rst.
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2024-08-14 19:32:56 +02:00 |
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c683489110
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Added a valgrind section to Tools.rst.
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2024-08-14 19:25:22 +02:00 |
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aa0b6c47c2
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Merge pull request #4263 from akohlmey/collected-small-fixes
Collected small fixes and updates for LAMMPS and LAMMPS-GUI
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2024-08-13 15:22:54 -04:00 |
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0f792b0434
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cast return value to void to indicate that we want to ignore the result
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2024-08-13 12:36:43 -04:00 |
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b479cf6c68
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use old fashioned way to signal we want to ignore the return value
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2024-08-13 11:38:22 -04:00 |
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dd148557b5
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enforce initialization
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2024-08-13 11:34:11 -04:00 |
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b459f33f5e
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avoid off-by-on overflow
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2024-08-13 11:34:11 -04:00 |
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6dad7f7396
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forgot to flag development version.
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2024-08-13 11:09:14 -04:00 |
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063e6bcdc8
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small tweaks
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2024-08-13 11:06:04 -04:00 |
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0d968374b8
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small cleanup
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2024-08-13 06:39:47 -04:00 |
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164419bc1f
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cosmetic
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2024-08-13 03:48:35 -04:00 |
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bd2e1098ce
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avoid tiny memory leak
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2024-08-13 03:44:30 -04:00 |
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bb2c8d8da0
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propagate font choices
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2024-08-13 03:42:41 -04:00 |
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206302a8e1
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more consistent font selections by avoiding QApplication
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2024-08-13 03:21:32 -04:00 |
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8111697882
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relax epsilong to accommodate MSVC++
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2024-08-13 01:08:57 -04:00 |
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a5fe6543a7
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check for errors of the geturl command and abort with message
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2024-08-13 00:15:35 -04:00 |
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17ea8d6381
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update comment
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2024-08-12 23:52:41 -04:00 |
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4ee6910d98
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add tests for 2NN MEAM potentials
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2024-08-12 23:48:06 -04:00 |
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1af5519379
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update -restart2info and info docs
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2024-08-12 22:57:21 -04:00 |
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5bcfed5fce
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symlink potentials
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2024-08-12 22:02:57 -04:00 |
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a4bff8988b
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add missing potentials via symlinks
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2024-08-12 21:55:13 -04:00 |
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633ff19ab9
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fix up some EFF inputs and create conventional log files
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2024-08-12 21:51:59 -04:00 |
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2115ac8971
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use compliant box creation for 2d
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2024-08-12 21:25:42 -04:00 |
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8a77949db2
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cleanly demo/test using restart files without leaving binary files behind
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2024-08-12 21:19:46 -04:00 |
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a1adf5d2d1
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avoid mismatched new/deletep[] and malloc()/free()
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2024-08-12 21:04:12 -04:00 |
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24436e3463
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fix typo
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2024-08-12 11:11:32 -04:00 |
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462e9756ce
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fix box dimensions to comply with stricter requirement for 2d geometries
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2024-08-12 10:54:00 -04:00 |
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fe98a875bb
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must check more thoroughly
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2024-08-12 10:26:56 -04:00 |
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f98568c350
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add completer for extra/* arguments to read_data
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2024-08-12 00:57:50 -04:00 |
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d759d8acf7
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must have network access for the flatpak app
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2024-08-11 23:40:17 -04:00 |
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243b593426
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add permission to desktop
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2024-08-11 23:23:58 -04:00 |
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accbd69c03
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use more reliable conversion to const char *
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2024-08-11 23:15:21 -04:00 |
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9ab07ecba6
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don't return temporaries
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2024-08-11 22:55:37 -04:00 |
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9080d6bfed
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add wizard for tutorial 2
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2024-08-11 22:55:27 -04:00 |
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23139db860
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must use different conversion to const char* to avoid garbage output
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2024-08-11 19:19:56 -04:00 |
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c6e90eed9c
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update appdata for LAMMPS-GUI
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2024-08-11 14:08:43 -04:00 |
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231c3910ba
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fix up icon
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2024-08-11 12:25:20 -04:00 |
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c7f6d75856
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add an "info" page to the wizard explaining the content of tutorial 1
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2024-08-11 12:17:29 -04:00 |
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cccb43bb9b
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turn off CA verification as it fails on Windows
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2024-08-11 12:17:06 -04:00 |
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9163c40b7d
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put the tutorial folders into the user's "Desktop" folder instead of home or application folder.
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2024-08-11 12:16:46 -04:00 |
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a92192d16b
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automatically include release version in binary package name
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2024-08-11 09:58:21 -04:00 |
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ccd77da836
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integrate new tutorial logo
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2024-08-11 09:31:09 -04:00 |
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fedeeaef24
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rework wizard for tutorial 1 to load manifest
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2024-08-11 00:18:11 -04:00 |
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a94fa9cd43
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Merge branch 'develop' into collected-small-fixes
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2024-08-10 11:54:50 -04:00 |
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4b756e0b1c
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Merge pull request #4270 from lammps/fix-store-global-bug-fix
Fix a bug when restarting with stored data in fix STORE/GLOBAL for global vectors or arrays
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2024-08-10 11:29:06 -04:00 |
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22f25f0c00
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whitespace
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2024-08-10 10:13:36 -04:00 |
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