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f442fc8540
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Added reset_box, memory_usage, get_mpi_comm, extract_setting and associated documentation
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2022-08-10 00:55:17 -05:00 |
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7125682375
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Added get_thermo and extract_box; added get_natoms to documentation; added a "TODO" for all other functions to implement
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2022-08-09 21:18:33 -05:00 |
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fb2dd26d45
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Merge pull request #3383 from hammondkd/doc-fixes
Documentation fixes
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2022-08-08 14:51:38 -04:00 |
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3ca8df388d
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fix a couple of typos
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2022-08-06 23:01:35 -04:00 |
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0f68aa80fe
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fix typo
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2022-08-06 21:44:56 -04:00 |
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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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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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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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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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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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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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083a662a5c
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small rewrite
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2022-08-04 13:06:30 -04:00 |
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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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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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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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20c1644e6d
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adjusted kspace solver portion of page
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2022-08-01 15:10:49 -06:00 |
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c0f4650d59
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add some .. versionadded:: statements to indicate the version a feature was added
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2022-08-01 03:54:39 -04:00 |
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ac158a7b4b
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whitespace
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2022-07-29 06:58:48 -04:00 |
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d444bfc996
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Merge branch 'develop' into collected-small-changes
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2022-07-29 06:58:22 -04:00 |
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2ce33c14b7
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Merge pull request #3365 from pvelesko/chip_spv
Add CMake and GNU make support for HIP via CHIP-SPV
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2022-07-29 06:33:55 -04:00 |
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b6c62cce05
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additional tweaks to clarify fix sphere doc pages
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2022-07-28 16:30:00 -06:00 |
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bbc4ef3a20
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edits to pair dipole doc page
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2022-07-28 16:09:59 -06:00 |
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9258ab3a51
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document missing call
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2022-07-27 22:13:14 -04:00 |
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24b3de8727
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update documentation for CMake
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2022-07-27 06:41:19 +00:00 |
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d347a27a39
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add reference
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2022-07-26 09:19:45 -04:00 |
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5f67850171
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correct typos
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2022-07-25 22:32:59 -04:00 |
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87d1aef543
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clarify whom to contact with questions about pre-built binaries. update ubuntu info
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2022-07-24 18:12:04 -04:00 |
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cdf600b8cd
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update description
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2022-07-22 14:34:09 -04:00 |
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7901a317c0
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Initial version of an LAMMPS older version code update guide
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2022-07-22 00:03:34 -04:00 |
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11c46a6e90
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correct dangling and inconsistent links to sphinx homepage and rst docs
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2022-07-21 08:19:39 -04:00 |
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1f4447d1cd
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add USE_INTERNAL_LINALG to workaround passing BLAS/LAPACK settings to external projects
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2022-07-21 05:42:23 -04:00 |
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6689a20754
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clarify
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2022-07-16 10:26:57 -04:00 |
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34aca71258
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disallow use of variable functions vdisplace(), swiggle(), and cwiggle() with fix dt/reset
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2022-07-16 10:26:56 -04:00 |
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9e1685211b
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allow ramp(x,y) to be used in between runs (returning x) and avoid division by zero on run 0
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2022-07-16 10:26:56 -04:00 |
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beebaea160
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Merge pull request #3350 from lammps/doc-page-dump-style-table
add a table with list of dump styles
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2022-07-16 06:45:04 -04:00 |
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db9731bf3b
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also index dump styles
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2022-07-15 22:58:49 -04:00 |
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b28f8bc70e
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add missing index entries for dump style
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2022-07-15 21:23:26 -04:00 |
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f478ca3b4d
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Merge pull request #3337 from vpalkar/pair-srp-react
Adding pair style srp/react
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2022-07-15 18:59:49 -04:00 |
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c8ca8fb2d6
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properly integrate the new file into the document toctree
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2022-07-15 17:51:36 -04:00 |
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f36653caeb
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add a table with list of dump styles
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2022-07-15 14:47:45 -06:00 |
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3761cff688
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Merge pull request #3331 from jrgissing/bond/react-bugfixes
Bond/react bugfixes
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2022-07-15 16:18:30 -04:00 |
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a393569083
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Merge pull request #3343 from yskmiyazaki/style-sdk-update
Change package name CG-SDK to CG-SPICA and add a function type LJ12-5 to the package
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2022-07-15 14:54:41 -04:00 |
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70eec9a55c
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Merge pull request #3339 from jtclemm/patch_contact_atom
Redoing groups in compute contact/atom
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2022-07-15 14:47:03 -04:00 |
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