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bf6e0d59c9
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fix bug in general triclinic dump refactor reported by @stanmoore1
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2024-06-24 19:18:49 -04:00 |
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da095a1d79
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minor edits to new pair dpd/coul/slater/long doc page
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2024-06-24 16:36:38 -06:00 |
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9a41f6aedf
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spelling updates
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2024-06-23 04:21:01 -04:00 |
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01a85639f9
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Merge branch 'develop' into kokkospod
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2024-06-23 03:56:39 -04:00 |
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0d1759d4a4
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small programming style updates
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2024-06-23 03:56:23 -04:00 |
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e17dc38087
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use utils::numeric to convert text to numbers
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2024-06-23 03:56:10 -04:00 |
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21685136be
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add braces to group commands according to indentation
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2024-06-23 03:55:50 -04:00 |
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79cc64766b
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initialize all pointers to null, reorder to match definition
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2024-06-23 03:55:10 -04:00 |
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3c81badc5c
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avoid namespace pollutions from defines in eapot.h
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2024-06-23 03:40:04 -04:00 |
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487a9ae73e
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return to alphabetical order
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2024-06-23 03:09:54 -04:00 |
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0e28eb0348
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Make sure CMAKE_INSTALL_FULL_LIBDIR is defined when using it
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2024-06-22 23:28:05 -04:00 |
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fb529bb9e8
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trigger calling Fix::reset_dt() which may cause segfaults with respa
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2024-06-22 20:04:40 -04:00 |
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9dc85dec54
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apply clang-format
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2024-06-22 20:04:09 -04:00 |
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5693c8ac33
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modernize fix instance lookup
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2024-06-22 20:03:14 -04:00 |
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b8cbd1bfc3
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use proper technical term
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2024-06-22 14:26:24 -04:00 |
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090ed81e77
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avoid segfault in fix shake/rattle when timestep is changed before run
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2024-06-22 14:20:23 -04:00 |
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f1c5b4b68d
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avoid access to uninitialized step_respa pointer in Nose-Hoover fixes
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2024-06-22 04:16:46 -04:00 |
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353121c942
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update compute descriptors
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2024-06-21 22:08:20 -04:00 |
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cfcd2b2068
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Merge pull request #4202 from lammps/dump-triclinic-bug-fix
Dump triclinic bug fix
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2024-06-21 14:29:31 -04:00 |
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cf2dede47f
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whitespace
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2024-06-21 12:20:59 -04:00 |
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13f0e37a57
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Merge pull request #4201 from lammps/amoeba-doc-page
Fix errors in fix amoeba/pitorsion doc page
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2024-06-21 12:17:26 -04:00 |
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eba1599f9c
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typo comment change
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2024-06-21 09:35:10 -06:00 |
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de684a15b6
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typo code change
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2024-06-21 09:33:12 -06:00 |
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fc539b46ea
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change all function ptrs and 2 example dump files
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2024-06-21 09:23:04 -06:00 |
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7dae9c05ba
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changes for triclinic function ptr init
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2024-06-21 08:59:09 -06:00 |
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d0da16070b
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one more change
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2024-06-21 08:00:50 -06:00 |
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6b42545044
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fix errors in fix amoeba/pitorsion doc page
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2024-06-21 07:51:49 -06:00 |
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241a8dda63
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Merge pull request #4200 from akohlmey/collected-small-changes
Collected small fixes for development version
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2024-06-21 09:42:57 -04:00 |
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fe13768fa4
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remove unused class member
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2024-06-21 01:16:50 -04:00 |
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c7f386ce9f
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fix missing arguments and cut-n-paste error reported by coverity scan
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2024-06-21 01:13:36 -04:00 |
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a6d51b7cc8
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follow LAMMPS programming style more closely
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2024-06-21 01:04:55 -04:00 |
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41d24f5d57
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apply clang-format
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2024-06-21 01:02:02 -04:00 |
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6d1fb9eb62
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fix typo
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2024-06-20 20:31:24 -04:00 |
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fc98f626b4
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Merge branch 'develop' into collected-small-changes
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2024-06-20 20:13:22 -04:00 |
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7e8f956e05
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remove accidental commit
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2024-06-20 20:09:28 -04:00 |
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8ce284f125
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Merge pull request #4145 from jrgissing/improve_type_label_support
Improve type label support
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2024-06-20 16:30:22 -04:00 |
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dfabe5d333
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-20 16:25:43 -04:00 |
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65f2767d9d
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Merge pull request #4169 from ohenrich/cg-dna
CG-DNA: Real units and potential reader
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2024-06-20 16:25:16 -04:00 |
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734fdf4a46
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rename CG-DNA potential files
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2024-06-20 14:33:26 -04:00 |
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00d7aa935f
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follow LAMMPS programming style more closely, silence compiler warnings
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2024-06-20 09:39:21 -04:00 |
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001ac67b3b
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apply clang-format
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2024-06-20 09:23:32 -04:00 |
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c8dc135b8f
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update according to "include-what-you-use" principles
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2024-06-20 09:22:32 -04:00 |
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2dc7de417a
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Merge branch 'develop' into improve_type_label_support
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2024-06-20 08:56:02 -04:00 |
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9c8c04a7b4
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Merge branch 'develop' into cg-dna
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2024-06-20 02:44:29 -04:00 |
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8d69bd77ef
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don't throw an error when reading QEq parameters from file
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2024-06-19 18:28:04 -04:00 |
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71c5e04121
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Merge pull request #4179 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-06-19 17:39:57 -04:00 |
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cb0af02748
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Merge pull request #4193 from akohlmey/extra-command-package
Create new EXTRA-COMMAND package
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2024-06-19 15:06:20 -04:00 |
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ddec24308c
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small docs and spelling corrections and updates
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2024-06-19 15:04:14 -04:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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80556214e4
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remove unused class member
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2024-06-19 13:57:10 -04:00 |
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