Commit Graph

31592 Commits

Author SHA1 Message Date
49df4d93a0 need new CSS hack to hide duplicate headers derived from the navigation bar 2022-08-05 21:44:31 -04:00
99582c0f28 Merge pull request #3381 from akohlmey/update-fmtlib
Update embedded fmtlib code to version 9.0.0
2022-08-05 19:51:51 -04:00
b5c69e520d Merge pull request #3382 from akohlmey/coverity-fixes
Small updates and bugfixes from static code analysis
2022-08-05 17:55:13 -04:00
5b24e3aa3c Merge pull request #3379 from akohlmey/fix_store_global_peratom
Split internal fix STORE command into fix STORE/GLOBAL and fix STORE/PERATOM
2022-08-05 17:22:48 -04:00
1e099de59c fix initialization typo 2022-08-05 16:38:35 -04:00
8db43c0bd7 update CODEOWNERS table 2022-08-05 07:54:47 -04:00
7f46b54b79 make "verbose" a proper compile time flag and rename to VERBOSE 2022-08-05 07:45:32 -04:00
b395d41eb6 fix index copy-n-paste error 2022-08-05 07:40:36 -04:00
fe0cbf1a68 enable to pass string constants 2022-08-05 07:22:11 -04:00
4f98e02ae7 avoid division by zero 2022-08-05 07:21:47 -04:00
62cfde2ed2 energy is not an array 2022-08-05 07:21:35 -04:00
3755ec7e35 fix typo 2022-08-05 07:21:11 -04:00
ca1d646b25 offset is not used (by construction of the potential) 2022-08-05 07:20:44 -04:00
a9829b1e5f enforce null termination of read string 2022-08-05 04:27:58 -04:00
f448fd4191 ensure liftime of temporary storage 2022-08-05 04:27:58 -04:00
7ebd65ddb7 must catch exceptions inside destructors 2022-08-05 04:27:49 -04:00
968cde7f41 protect against failed lookup of 4th atom 2022-08-05 04:23:06 -04:00
681ad88f08 rename fix STORE_LOCAL to STORE/LOCAL for consistency 2022-08-05 02:57:38 -04:00
369e9636be update {fmt} library to version 9.0.0 2022-08-04 22:06:37 -04:00
7bce3a92e2 correct test for overload with/without optional format arguments 2022-08-04 22:00:13 -04:00
72036caf71 use make_format_args() instead of make_args_checked() (removed in v9) 2022-08-04 21:59:37 -04:00
b4df4bffae Merge pull request #3380 from stanmoore1/kk_small_changes
Small changes in KOKKOS package
2022-08-04 16:51:21 -04:00
a28ceb4d80 Merge pull request #3378 from lammps/doc-updates
Add missing portions of a couple doc pages
2022-08-04 15:43:48 -04:00
083a662a5c small rewrite 2022-08-04 13:06:30 -04:00
8d9e0ee9c8 HIP tuning 2022-08-04 13:01:24 -04:00
b393bcf6a9 Remove unused non-public header 2022-08-04 13:01:13 -04:00
a84c2ab18a fix off-by-one bugs, improve error messages 2022-08-04 12:27:26 -04:00
6c32058728 adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom 2022-08-04 11:33:14 -04:00
184f55b99f fix cut/paste error 2022-08-04 08:53:43 -06:00
53f49a160f add missinng portions of a couple doc pages 2022-08-04 08:49:38 -06:00
63fc9fcc62 document how to update source code for the fix STORE split 2022-08-04 06:43:41 -04:00
774a3cb64e split fix STORE into fix STORE/GLOBAL and fix STORE/PERATOM 2022-08-04 06:43:15 -04:00
883a25bbd8 Merge pull request #3375 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_3Aug2022
2022-08-03 17:49:36 -04:00
1b4a7f4696 Merge pull request #3377 from lammps/doc-pair-dipole-again
Tweak dipole doc page for clarity
2022-08-03 16:17:27 -04:00
94c1aa8c5a tweak dipole doc page 2022-08-03 13:34:41 -06:00
6c048f101e Merge pull request #3374 from akohlmey/airebo-tweaks
Small cleanup and performance tweak for spline evaluation in AIREBO pair style
2022-08-03 13:32:40 -04:00
7a5fa964b4 Merge pull request #3370 from lammps/doc-pair-dipole
Edits to pair dipole doc page
2022-08-03 12:47:08 -04:00
1eaa807bbf clarification on what constituets single, double, and triple quotes. 2022-08-03 01:50:11 -04:00
d7901cb3af step version strings for the next patch release 2022-08-02 13:03:37 -04:00
2dd7c23b6f small performance tweak for 5th order spline evaluation 2022-08-02 10:37:50 -04:00
20c1644e6d adjusted kspace solver portion of page 2022-08-01 15:10:49 -06:00
67e0621806 Merge pull request #3361 from akohlmey/collected-small-changes
Collected small changes and fixes
2022-08-01 16:37:02 -04:00
c0f4650d59 add some .. versionadded:: statements to indicate the version a feature was added 2022-08-01 03:54:39 -04:00
acadc299a7 apply powint() in a few more cases 2022-07-31 18:35:04 -04:00
00cd92954c match pow(0,0) = 1.0 behavior in powint() 2022-07-31 18:32:52 -04:00
c5e1ce0b59 switch from master to develop 2022-07-31 16:56:47 -04:00
daec261fa1 use $(PIP_OPTIONS) consistently 2022-07-30 17:26:46 -04:00
d67d6beba9 Merge remote-tracking branch 'github/develop' into collected-small-changes 2022-07-30 17:15:49 -04:00
5c30c493e6 Merge pull request #3372 from rbberger/docs_update
Removes `easy_install` deprecation warnings in doc build
2022-07-30 17:14:46 -04:00
3f293e1c13 Use pip install -e util/converters in doc build 2022-07-29 17:56:01 -06:00