70fd789b4c
missing format keyword in fix ave/time doc
2022-10-13 14:51:30 -05:00
3703af9887
Missing keyword in fix_ave_histo doc
2022-10-13 14:48:26 -05:00
3607fd766b
Missing key word in fix/ave/chunk docs, edits to bond_coeff docs
2022-10-13 14:42:10 -05:00
40d409a8d4
put a few more details on restrictions when parsing types early on.
2022-10-13 15:15:37 -04:00
41c0b39365
Merge branch 'lammps:develop' into thermo_mod_range
2022-10-13 09:01:06 -05:00
8027e02cbb
Merge branch 'lammps:develop' into doc-fixes
2022-10-13 09:00:07 -05:00
6b35251ca2
fix typo and remove correspondign false positive
2022-10-13 05:47:08 -04:00
0b17654bee
New pair-style ylz added to ASPHERE package
2022-10-13 13:45:09 +08:00
a0d859933c
Update from master
2022-10-12 09:49:55 -06:00
5f285e6aa3
Update documentation
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Make documentation of ELECTRODE fixes more complete by listing more warnings and describing options more fully.
Use utils::logical for toggle (on/off) options.
With the changes in etypes to auto-detect electrode types it makes more sense to make it an on/off toggle as well, so that we don't have inconsistent keyword types.
2022-10-12 12:00:46 +00:00
d499c2f61b
Merge pull request #3474 from stanmoore1/kk_update_3.7
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Update Kokkos library in LAMMPS to v3.7.0
2022-10-11 16:30:19 -04:00
3e1acfc500
Update Kokkos Arch in docs
2022-10-10 16:29:55 -06:00
1bc16d8a78
fix spelling and table format issues. re-wrap paragraphs in doc sources.
2022-10-10 17:26:13 -04:00
a38054cf32
change area_per_patch to area/patch
2022-10-10 16:03:09 -05:00
aea3421311
whitespace fixes
2022-10-10 15:26:40 -04:00
ba45678528
DIELECTRIC package doc and example updates
2022-10-10 11:04:04 -05:00
be208f037d
quick doc updates
2022-10-10 11:04:04 -05:00
b3fa2b7c4f
update of DIELECTRIC package documentation and examples
2022-10-10 11:03:52 -05:00
2fed3fa003
Minor documentation edits
2022-10-06 22:12:33 -05:00
3b292cd50a
Fixed bug in thermo_modify and made 2*4 and such work for format fields
2022-10-06 18:08:06 -05:00
eca8b77c84
Merge branch 'lammps:develop' into doc-fixes
2022-10-05 22:47:48 -05:00
967c84cb69
Merge pull request #3470 from hammondkd/fortran-further-tinkering
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Further extending the Fortran interface
2022-10-05 21:20:06 -04:00
7157643fdd
Merge pull request #3315 from yury-lysogorskiy/feature/pace-al
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ML_PACE with extrapolation grade / active learning
2022-10-05 20:16:13 -04:00
9abc0b6c11
Merge branch 'lammps:develop' into doc-fixes
2022-10-05 14:13:08 -05:00
723255bf7e
Merge remote-tracking branch 'github/develop' into fortran-further-tinkering
2022-10-05 10:52:36 -04:00
f279b5d042
Math fixes and other edits for fix_brownian.rst
2022-10-04 22:36:30 -05:00
3c11fa39b6
Doc edits for mdi.rst
2022-10-04 18:49:35 -05:00
8be7634b5f
Merge branch 'collected-small-changes' into pair-zero-full
2022-10-04 14:36:02 -04:00
90e820e8ec
format mpirun/mpiexec consistently
2022-10-04 08:55:53 -04:00
f2b3d8e8c3
use morse interaction energy from bond style morse not pair style morse
2022-10-04 07:02:44 -04:00
4a06559da5
update docs
2022-10-04 05:18:42 -04:00
5508c7f25e
Bug fix for pair_style list quartic.
2022-10-04 13:27:32 +08:00
ed8e317ef6
Added quartic function for explicit pair interaction in pair_style list.
2022-10-04 10:40:32 +08:00
82bf23401f
Fix whitespace
2022-10-03 12:45:18 -06:00
981f75d92f
Example in docs
2022-10-03 12:40:05 -06:00
c82fdd4898
Add docs
2022-10-03 11:57:47 -06:00
94ff9cea4c
Revert "update documentation: explain fix_modify pair every N"
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This reverts commit 2f231bcd50
2022-10-03 19:43:37 +02:00
6a2023e7df
spelling
2022-10-03 09:55:20 -04:00
d711a51657
Merge remote-tracking branch 'github/develop' into fortran-further-tinkering
2022-10-03 09:37:52 -04:00
dc5324c1db
Updated unit tests to use keepstuff; whitespace fixes
2022-10-02 21:26:42 -05:00
db9b59c269
Implemented scatter_atoms and scatter_atoms_subset + unit tests + documentation + typos/edits
2022-10-02 20:32:42 -05:00
c5c21bb36c
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
2022-10-02 15:28:10 -05:00
c777434b72
use kcal consistently
2022-10-01 21:05:16 -04:00
39ea6ef30e
make \AA macro available in :math: for HTML and PDF
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use the (newly redefined) \AA macro for Angstrom symbol throughout
instead of either \mathring{A} or AA
2022-10-01 20:58:48 -04:00
69ca7105ef
provide some more details about typesetting special characters and math
2022-10-01 20:41:48 -04:00
9c314966ae
More spacing
2022-09-30 19:58:56 -05:00
eac855343f
Spacing
2022-09-30 19:54:58 -05:00
6dea4d50d6
Fixed oversight in edits to example in Fortran doc page
2022-09-30 19:51:56 -05:00
a323e09822
Merge branch 'lammps:develop' into fortran-further-tinkering
2022-09-30 19:40:32 -05:00
bbc08bbf1f
make capitalization consistent
2022-09-30 19:53:11 -04:00
