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4ac74a4153
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add is_os() special function to the variable command
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2022-08-06 21:44:03 -04:00 |
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5b0a9cea99
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use ISO_C_BINDING compatible return type
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2022-08-06 20:43:04 -04:00 |
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b465d3c86f
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silence compiler warnings about unused variables
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2022-08-06 19:59:37 -04:00 |
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f92e57ba9e
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Must always enable exception handler with MSVC and also with Intel classic on windows.
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2022-08-06 19:58:44 -04:00 |
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a9aa462a60
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use alternate way to incorporate the module via "include" in the source code
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2022-08-06 18:47:31 -04:00 |
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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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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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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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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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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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1b4a7f4696
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Merge pull request #3377 from lammps/doc-pair-dipole-again
Tweak dipole doc page for clarity
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2022-08-03 16:17:27 -04:00 |
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94c1aa8c5a
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tweak dipole doc page
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2022-08-03 13:34:41 -06:00 |
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6c048f101e
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Merge pull request #3374 from akohlmey/airebo-tweaks
Small cleanup and performance tweak for spline evaluation in AIREBO pair style
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2022-08-03 13:32:40 -04:00 |
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7a5fa964b4
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Merge pull request #3370 from lammps/doc-pair-dipole
Edits to pair dipole doc page
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2022-08-03 12:47:08 -04:00 |
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1eaa807bbf
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clarification on what constituets single, double, and triple quotes.
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2022-08-03 01:50:11 -04:00 |
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d7901cb3af
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step version strings for the next patch release
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2022-08-02 13:03:37 -04:00 |
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2dd7c23b6f
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small performance tweak for 5th order spline evaluation
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2022-08-02 10:37:50 -04:00 |
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