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6a2023e7df
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spelling
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2022-10-03 09:55:20 -04:00 |
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d711a51657
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Merge remote-tracking branch 'github/develop' into fortran-further-tinkering
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2022-10-03 09:37:52 -04:00 |
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dc5324c1db
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Updated unit tests to use keepstuff; whitespace fixes
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2022-10-02 21:26:42 -05:00 |
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db9b59c269
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Implemented scatter_atoms and scatter_atoms_subset + unit tests + documentation + typos/edits
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2022-10-02 20:32:42 -05:00 |
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c5c21bb36c
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Implemented, tested, and documented gather_atoms and variants; added RST docs for lammps_scatter_atoms and lammps_gather_atoms and variants (library.cpp); checked for missing atom map in lammps_gather_atoms_subset; fixed bug in keepstuff.f90; fixed docs for extract_variable
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2022-10-02 15:28:10 -05:00 |
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c777434b72
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use kcal consistently
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2022-10-01 21:05:16 -04:00 |
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39ea6ef30e
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make \AA macro available in :math: for HTML and PDF
use the (newly redefined) \AA macro for Angstrom symbol throughout
instead of either \mathring{A} or AA
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2022-10-01 20:58:48 -04:00 |
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69ca7105ef
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provide some more details about typesetting special characters and math
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2022-10-01 20:41:48 -04:00 |
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9c314966ae
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More spacing
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2022-09-30 19:58:56 -05:00 |
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eac855343f
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Spacing
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2022-09-30 19:54:58 -05:00 |
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6dea4d50d6
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Fixed oversight in edits to example in Fortran doc page
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2022-09-30 19:51:56 -05:00 |
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a323e09822
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Merge branch 'lammps:develop' into fortran-further-tinkering
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2022-09-30 19:40:32 -05:00 |
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bbc08bbf1f
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make capitalization consistent
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2022-09-30 19:53:11 -04:00 |
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953c3d0cad
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spell check; updated false positives; whitespace
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2022-09-30 18:50:16 -05:00 |
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c61b356a71
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clarify LJ energy function component of the quartic bond style
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2022-09-30 19:48:56 -04:00 |
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b48868d70b
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better document format style variable behavior
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2022-09-30 15:05:56 -04:00 |
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fce0877cac
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update and remove obsolete parts
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2022-09-30 09:49:57 -04:00 |
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a7071fea78
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Wrote docs for extract_fix,extract_variable; fixed python so it knows about string variables; doc typo fixes; part of extract_variable unit test
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2022-09-29 19:28:15 -05:00 |
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09948f11be
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make equation references explicit since .. math:: + 🏷️ does not work with latex
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2022-09-29 13:54:09 -04:00 |
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c6eb6d858b
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implement numbered equations and equation references
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2022-09-29 12:04:43 -04:00 |
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96c0d39be2
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Merge branch 'develop' into pdlammps-howto
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2022-09-29 10:42:34 -04:00 |
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3ab8f6ea16
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Finished docs for everything currently implemented
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2022-09-29 09:14:49 -05:00 |
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8e073c3335
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reference the Howto from the rest of the manual. Spelling fixes.
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2022-09-29 07:43:01 -04:00 |
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777a074744
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Convert PDLAMMPS user doc from latex to sphinx
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2022-09-29 06:57:52 -04:00 |
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6c0da8cbaf
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Wrote documentation for extract_fix, extract_variable
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2022-09-29 01:07:46 -05:00 |
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6109090d40
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Merge branch 'lammps:develop' into fortran-further-tinkering
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2022-09-27 20:02:06 -05:00 |
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0fe739eb35
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Merge branch 'develop' into collected-small-changes
# Conflicts:
# doc/utils/sphinx-config/false_positives.txt
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2022-09-26 20:34:37 -04:00 |
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be98b5a168
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Merge pull request #3458 from Boogie3D/mliappy_unified
MLIAP Unified Interface
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2022-09-26 20:33:17 -04:00 |
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10068a0fde
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Merge pull request #3461 from julient31/llg-correction
Correction of some LL features in the SPIN package
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2022-09-26 14:56:36 -04:00 |
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5ea37448b6
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whitespace
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2022-09-26 13:12:04 -04:00 |
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a4e92ed4a9
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update broken URLs
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2022-09-26 12:09:45 -04:00 |
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543e7b8b56
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format DOI tags consistently
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2022-09-26 11:41:22 -04:00 |
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30ddb2d4b4
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Merge branch 'clean-master2' of github.com:julient31/lammps into llg-correction
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2022-09-26 07:53:09 +02:00 |
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90f26f05fc
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Correcting some aspects of the SPIN package documentation.
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2022-09-26 07:43:19 +02:00 |
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bada1fb348
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Finished extract_compute and its unit tests and documentation
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2022-09-25 23:54:18 -05:00 |
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af3da50bda
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add some more versionadded tags, now mostly complete for 2022
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2022-09-25 09:41:55 -04:00 |
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3a95a7b973
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add utility to detect pending version tags in .. versionadded/changed::
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2022-09-25 03:51:54 -04:00 |
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64b88f2e13
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add versionadded/versionchanged markers for features from 15Sep2022 and 3Aug2022
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2022-09-25 03:20:29 -04:00 |
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ef8090fdd1
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flag *unified* keyword as newly added in the next patch release
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2022-09-24 15:31:47 -04:00 |
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058e49696a
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Added "New in version TBD" to new functions
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2022-09-24 12:12:24 -05:00 |
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26e269aacd
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continued ork on extract_compute unit tests
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2022-09-24 12:04:27 -05:00 |
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b37c145352
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convert URLs to https where possible, check URLs for bit rot and update or remove
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2022-09-24 08:02:18 -04:00 |
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a0caf34d71
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update sjplimp's email and homepage
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2022-09-24 05:02:53 -04:00 |
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caa80ef344
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use upper case LAMMPS as the name of the package consistently
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2022-09-24 03:45:23 -04:00 |
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5ddb0aeb16
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cosmetic changes
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2022-09-24 03:44:19 -04:00 |
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c581fca39a
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Merge branch 'develop' into mliappy_unified
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2022-09-24 03:07:31 -04:00 |
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49a3be17cb
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c-library functions should be always present, documented, and lowercase
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2022-09-24 03:07:24 -04:00 |
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69627eee8d
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Merged with fortran-tinkering
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2022-09-23 22:11:24 -05:00 |
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8ad478697e
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Remove trailing whitespace
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2022-09-23 17:20:27 -06:00 |
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86d1aacf7e
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add function to dispatch LAMMPS errors to library interfaces
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2022-09-23 16:28:15 -04:00 |
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