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b51c50294e
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implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them
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2022-10-19 18:40:12 -05:00 |
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637810515a
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make compute rigid/local consistent with other "possible attributes" docs
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2022-10-17 14:51:10 -05:00 |
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677997699d
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more consistency
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2022-10-15 15:35:29 -04:00 |
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9e43e9792c
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Fixed a couple more mathbf->boldsymbol errors in fix brownian doc
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2022-10-15 10:47:33 -05:00 |
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09a14d558d
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explicitly select Times New Roman for \textrm, Helvetica for \textsf and Times New Roman for math as well
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2022-10-14 21:27:55 -04:00 |
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2b18f6a3d3
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replace tab
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2022-10-14 21:27:00 -04:00 |
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b586b72ddd
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removed an extra space
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2022-10-14 18:27:21 -05:00 |
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77958b5ef1
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Missed one I->i edit
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2022-10-14 18:04:49 -05:00 |
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e346151271
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Updated docs for fixes bond/break, bond/create, and bond/react for math/etc.
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2022-10-14 17:40:22 -05:00 |
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3d0a7d774a
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Updated docs for fix bocs to match source code and include math
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2022-10-14 16:04:07 -05:00 |
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7550fdc862
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Sphinx conf edit so PDF ToC entries w/ subsections >= 100 work
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2022-10-14 15:28:55 -05:00 |
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e3c78b70ed
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Fixed remaining discrepancies between lists of keywords and doc of them
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2022-10-13 23:00:13 -05:00 |
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edcdedc574
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made keyword lists and descriptions consistent for all fix styles
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2022-10-13 19:20:08 -05:00 |
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70fd789b4c
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missing format keyword in fix ave/time doc
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2022-10-13 14:51:30 -05:00 |
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3703af9887
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Missing keyword in fix_ave_histo doc
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2022-10-13 14:48:26 -05:00 |
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3607fd766b
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Missing key word in fix/ave/chunk docs, edits to bond_coeff docs
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2022-10-13 14:42:10 -05:00 |
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8027e02cbb
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Merge branch 'lammps:develop' into doc-fixes
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2022-10-13 09:00:07 -05:00 |
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d499c2f61b
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Merge pull request #3474 from stanmoore1/kk_update_3.7
Update Kokkos library in LAMMPS to v3.7.0
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2022-10-11 16:30:19 -04:00 |
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3e1acfc500
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Update Kokkos Arch in docs
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2022-10-10 16:29:55 -06:00 |
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1bc16d8a78
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fix spelling and table format issues. re-wrap paragraphs in doc sources.
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2022-10-10 17:26:13 -04:00 |
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a38054cf32
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change area_per_patch to area/patch
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2022-10-10 16:03:09 -05:00 |
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aea3421311
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whitespace fixes
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2022-10-10 15:26:40 -04:00 |
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ba45678528
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DIELECTRIC package doc and example updates
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2022-10-10 11:04:04 -05:00 |
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be208f037d
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quick doc updates
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2022-10-10 11:04:04 -05:00 |
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b3fa2b7c4f
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update of DIELECTRIC package documentation and examples
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2022-10-10 11:03:52 -05:00 |
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eca8b77c84
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Merge branch 'lammps:develop' into doc-fixes
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2022-10-05 22:47:48 -05:00 |
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967c84cb69
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Merge pull request #3470 from hammondkd/fortran-further-tinkering
Further extending the Fortran interface
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2022-10-05 21:20:06 -04:00 |
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7157643fdd
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Merge pull request #3315 from yury-lysogorskiy/feature/pace-al
ML_PACE with extrapolation grade / active learning
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2022-10-05 20:16:13 -04:00 |
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9abc0b6c11
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Merge branch 'lammps:develop' into doc-fixes
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2022-10-05 14:13:08 -05:00 |
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723255bf7e
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Merge remote-tracking branch 'github/develop' into fortran-further-tinkering
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2022-10-05 10:52:36 -04:00 |
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f279b5d042
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Math fixes and other edits for fix_brownian.rst
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2022-10-04 22:36:30 -05:00 |
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3c11fa39b6
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Doc edits for mdi.rst
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2022-10-04 18:49:35 -05:00 |
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8be7634b5f
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Merge branch 'collected-small-changes' into pair-zero-full
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2022-10-04 14:36:02 -04:00 |
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90e820e8ec
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format mpirun/mpiexec consistently
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2022-10-04 08:55:53 -04:00 |
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f2b3d8e8c3
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use morse interaction energy from bond style morse not pair style morse
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2022-10-04 07:02:44 -04:00 |
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4a06559da5
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update docs
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2022-10-04 05:18:42 -04:00 |
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5508c7f25e
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Bug fix for pair_style list quartic.
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2022-10-04 13:27:32 +08:00 |
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ed8e317ef6
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Added quartic function for explicit pair interaction in pair_style list.
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2022-10-04 10:40:32 +08:00 |
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82bf23401f
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Fix whitespace
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2022-10-03 12:45:18 -06:00 |
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981f75d92f
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Example in docs
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2022-10-03 12:40:05 -06:00 |
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c82fdd4898
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Add docs
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2022-10-03 11:57:47 -06:00 |
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94ff9cea4c
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Revert "update documentation: explain fix_modify pair every N"
This reverts commit 2f231bcd50.
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2022-10-03 19:43:37 +02:00 |
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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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