Commit Graph

9034 Commits

Author SHA1 Message Date
6a3726425d update MEAM to state of latest PR #3412 2022-08-23 14:20:45 -04:00
1b979be939 Merge pull request #3392 from akohlmey/minimize-neighbor-check
Update test for neighbor list settings during minimization
2022-08-17 20:55:23 -04:00
c3f57037e6 Merge pull request #3391 from akohlmey/refactor-find-xxx
Continued refactoring of internal APIs and their use
2022-08-17 19:37:20 -04:00
d1e0af7ef5 discuss why one would want to use check = no during minimization 2022-08-17 16:00:00 -04:00
daa6b78c43 update documentation 2022-08-17 15:22:59 -04:00
73bee3c53c add discussion of neighbor list settings during minimizations. minor tweaks 2022-08-12 14:47:08 -04:00
7f9e6ce16a Merge branch 'develop' into shake-with-minimize 2022-08-11 13:21:08 -04:00
2b16a8d1c6 document how to update code that uses Output::find_dump() 2022-08-11 02:19:18 -04:00
e592f0f139 clarify the function of -nonbuf a bit more 2022-08-10 07:03:57 -04:00
5c589dbe20 add -nonbuf / -nb command line flag to disable buffering for screen and logfile 2022-08-09 15:52:47 -04:00
fb2dd26d45 Merge pull request #3383 from hammondkd/doc-fixes
Documentation fixes
2022-08-08 14:51:38 -04:00
3ca8df388d fix a couple of typos 2022-08-06 23:01:35 -04:00
0f68aa80fe fix typo 2022-08-06 21:44:56 -04:00
4ac74a4153 add is_os() special function to the variable command 2022-08-06 21:44:03 -04:00
322dc9a4de incorporate bugfixes and some suggestions from PR #3314 2022-08-06 17:43:40 -04:00
92c1f3e20a fixed rogue linebreak 2022-08-05 23:36:01 -05:00
485b3e7885 Resolve conflicts with devel branch 2022-08-05 23:30:41 -05:00
5734cce9d8 Updates documentation files to make them more consistent and some typo fixes (round 1) 2022-08-05 23:03:09 -05:00
d58b81afe2 adjust location of local ref targets for recent sphinx versions 2022-08-05 22:08:33 -04:00
4421a793d9 update API for variable argument logmesg() function 2022-08-05 21:56:47 -04:00
49df4d93a0 need new CSS hack to hide duplicate headers derived from the navigation bar 2022-08-05 21:44:31 -04:00
dce72e7007 Merge branch 'develop' into shake-with-minimize 2022-08-05 18:13:22 -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
ca1d646b25 offset is not used (by construction of the potential) 2022-08-05 07:20:44 -04:00
681ad88f08 rename fix STORE_LOCAL to STORE/LOCAL for consistency 2022-08-05 02:57:38 -04:00
083a662a5c small rewrite 2022-08-04 13:06:30 -04:00
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
883a25bbd8 Merge pull request #3375 from akohlmey/next_patch_release
Step version strings for the next patch release
2022-08-03 17:49:36 -04:00
94c1aa8c5a tweak dipole doc page 2022-08-03 13:34:41 -06:00
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
20c1644e6d adjusted kspace solver portion of page 2022-08-01 15:10:49 -06:00
c0f4650d59 add some .. versionadded:: statements to indicate the version a feature was added 2022-08-01 03:54:39 -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
3f293e1c13 Use pip install -e util/converters in doc build 2022-07-29 17:56:01 -06:00
3a7a941cd5 add false positive 2022-07-29 17:06:06 -04:00
ac158a7b4b whitespace 2022-07-29 06:58:48 -04:00
d444bfc996 Merge branch 'develop' into collected-small-changes 2022-07-29 06:58:22 -04:00
2ce33c14b7 Merge pull request #3365 from pvelesko/chip_spv
Add CMake and GNU make support for HIP via CHIP-SPV
2022-07-29 06:33:55 -04:00
b6c62cce05 additional tweaks to clarify fix sphere doc pages 2022-07-28 16:30:00 -06:00
bbc4ef3a20 edits to pair dipole doc page 2022-07-28 16:09:59 -06:00
4d69c7aea2 update embedded search box 2022-07-28 15:01:35 -04:00
9258ab3a51 document missing call 2022-07-27 22:13:14 -04:00
24b3de8727 update documentation for CMake 2022-07-27 06:41:19 +00:00
4f8a1ca526 correct formatting 2022-07-26 12:32:42 -04:00
d347a27a39 add reference 2022-07-26 09:19:45 -04:00