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801d59a9ac
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correct MPI detection for Fortran
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2022-08-06 18:46:56 -04:00 |
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5867f15c6b
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make more explicit
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2022-08-06 18:46:33 -04:00 |
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322dc9a4de
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incorporate bugfixes and some suggestions from PR #3314
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2022-08-06 17:43:40 -04:00 |
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ba50889ad5
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friction now acting only along segments
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2022-08-06 12:14:16 +01:00 |
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92c1f3e20a
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fixed rogue linebreak
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2022-08-05 23:36:01 -05:00 |
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485b3e7885
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Resolve conflicts with devel branch
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2022-08-05 23:30:41 -05:00 |
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5734cce9d8
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Updates documentation files to make them more consistent and some typo fixes (round 1)
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2022-08-05 23:03:09 -05:00 |
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d58b81afe2
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adjust location of local ref targets for recent sphinx versions
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2022-08-05 22:08:33 -04:00 |
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4421a793d9
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update API for variable argument logmesg() function
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2022-08-05 21:56:47 -04:00 |
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49df4d93a0
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need new CSS hack to hide duplicate headers derived from the navigation bar
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2022-08-05 21:44:31 -04:00 |
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99582c0f28
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Merge pull request #3381 from akohlmey/update-fmtlib
Update embedded fmtlib code to version 9.0.0
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2022-08-05 19:51:51 -04:00 |
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83a91a4fab
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more debug tests with LATTE
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2022-08-05 16:53:13 -06:00 |
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daa5a1837e
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retesting of LAMMPS + LATTE
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2022-08-05 16:35:49 -06:00 |
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e502b9b4fe
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Merge branch 'update-fmtlib' into shake-with-minimize
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2022-08-05 18:14:00 -04:00 |
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dce72e7007
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Merge branch 'develop' into shake-with-minimize
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2022-08-05 18:13:22 -04:00 |
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caf21d09b4
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disallow using fix shake/rattle with KOKKOS during minimization (for now)
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2022-08-05 18:12:29 -04:00 |
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691004509a
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standarize use of static methods with MDI, also plugin args
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2022-08-05 16:05:36 -06:00 |
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b5c69e520d
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Merge pull request #3382 from akohlmey/coverity-fixes
Small updates and bugfixes from static code analysis
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2022-08-05 17:55:13 -04:00 |
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5b24e3aa3c
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Merge pull request #3379 from akohlmey/fix_store_global_peratom
Split internal fix STORE command into fix STORE/GLOBAL and fix STORE/PERATOM
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2022-08-05 17:22:48 -04:00 |
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1e099de59c
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fix initialization typo
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2022-08-05 16:38:35 -04:00 |
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ade64c586e
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move to 1.4.2 version of MDI lib
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2022-08-05 14:04:16 -06:00 |
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8db43c0bd7
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update CODEOWNERS table
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2022-08-05 07:54:47 -04:00 |
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7f46b54b79
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make "verbose" a proper compile time flag and rename to VERBOSE
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2022-08-05 07:45:32 -04:00 |
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b395d41eb6
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fix index copy-n-paste error
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2022-08-05 07:40:36 -04:00 |
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fe0cbf1a68
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enable to pass string constants
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2022-08-05 07:22:11 -04:00 |
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4f98e02ae7
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avoid division by zero
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2022-08-05 07:21:47 -04:00 |
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62cfde2ed2
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energy is not an array
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2022-08-05 07:21:35 -04:00 |
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3755ec7e35
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fix typo
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2022-08-05 07:21:11 -04:00 |
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ca1d646b25
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offset is not used (by construction of the potential)
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2022-08-05 07:20:44 -04:00 |
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18f0a89c85
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changed friction model to sigmoid
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2022-08-05 10:50:43 +01:00 |
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a9829b1e5f
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enforce null termination of read string
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2022-08-05 04:27:58 -04:00 |
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f448fd4191
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ensure liftime of temporary storage
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2022-08-05 04:27:58 -04:00 |
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7ebd65ddb7
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must catch exceptions inside destructors
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2022-08-05 04:27:49 -04:00 |
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968cde7f41
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protect against failed lookup of 4th atom
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2022-08-05 04:23:06 -04:00 |
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681ad88f08
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rename fix STORE_LOCAL to STORE/LOCAL for consistency
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2022-08-05 02:57:38 -04:00 |
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369e9636be
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update {fmt} library to version 9.0.0
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2022-08-04 22:06:37 -04:00 |
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7bce3a92e2
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correct test for overload with/without optional format arguments
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2022-08-04 22:00:13 -04:00 |
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72036caf71
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use make_format_args() instead of make_args_checked() (removed in v9)
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2022-08-04 21:59:37 -04:00 |
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b4df4bffae
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Merge pull request #3380 from stanmoore1/kk_small_changes
Small changes in KOKKOS package
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2022-08-04 16:51:21 -04:00 |
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a28ceb4d80
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Merge pull request #3378 from lammps/doc-updates
Add missing portions of a couple doc pages
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2022-08-04 15:43:48 -04:00 |
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083a662a5c
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small rewrite
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2022-08-04 13:06:30 -04:00 |
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8d9e0ee9c8
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HIP tuning
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2022-08-04 13:01:24 -04:00 |
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b393bcf6a9
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Remove unused non-public header
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2022-08-04 13:01:13 -04:00 |
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a84c2ab18a
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fix off-by-one bugs, improve error messages
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2022-08-04 12:27:26 -04:00 |
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6c32058728
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adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
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2022-08-04 11:33:14 -04:00 |
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184f55b99f
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fix cut/paste error
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2022-08-04 08:53:43 -06:00 |
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53f49a160f
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add missinng portions of a couple doc pages
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2022-08-04 08:49:38 -06:00 |
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63fc9fcc62
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document how to update source code for the fix STORE split
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2022-08-04 06:43:41 -04:00 |
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774a3cb64e
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split fix STORE into fix STORE/GLOBAL and fix STORE/PERATOM
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2022-08-04 06:43:15 -04:00 |
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883a25bbd8
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Merge pull request #3375 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_3Aug2022
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2022-08-03 17:49:36 -04:00 |
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