337527282d
Added the documentation for atom style dielectric and for compute efield/atom
2021-06-07 16:36:45 -05:00
f7ca10b070
update documentation towards more complete integration
...
this includes the following steps:
- added missing sections about the packages (incomplete)
- added missing files for the pair styles and the compute (incomplete)
- merge fix doc files into a single file (incomplete)
- link to added styles from Commands overvies and style lists (incomplete)
major part that is missing is the documentation of the atom style and
the description of the file format in the read_data docs.
there should probably also additions to the `set` command to set those
properties from input scripts.
2021-06-05 21:00:35 -04:00
13b8c63e7a
Merge branch 'master' into user-dielectric
2021-06-05 11:14:44 -04:00
f92bee868a
whitespace fixes
2021-06-05 11:12:58 -04:00
f2dad0486b
Integrating documentation, misc fixes in compute
2021-06-04 10:06:05 -06:00
5f4bd99544
Merge branch 'master' into track-contacts
2021-06-04 08:42:51 -04:00
1358f4549b
doc updates for MISC package
2021-06-04 08:39:00 -04:00
2500169193
whitespace
2021-06-04 00:57:26 -04:00
337ba1f729
fix spelling issues
2021-06-04 00:56:24 -04:00
8e082c2f6a
complete integration into manual
2021-06-04 00:56:09 -04:00
80c90d8ee2
fix broken links/references
2021-06-04 00:34:37 -04:00
067fd48b57
Merge remote-tracking branch 'github/master' into collected-small-changes
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# Conflicts:
# python/lammps/__init__.py
# python/lammps/core.py
2021-06-04 00:28:32 -04:00
ed624b518e
update windows specific instructions for running LAMMPS for latest package
2021-06-03 16:51:39 -04:00
415f33134b
fix typos in Kolmolgorov-Crespi potential formula
2021-06-03 13:12:43 -04:00
479622e57d
Adding compute fabric
2021-06-02 14:17:15 -06:00
80f28e7fa9
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
b2ed89b21f
Updating documentation
2021-06-02 12:02:02 -06:00
3d991cda6f
Remove pypar from docs
2021-06-02 11:13:44 -04:00
c12f7e226b
More cleanup to fix polarize*, access to the per-atom variables from the Atom class, and updates to doc pages
2021-06-01 11:22:14 -05:00
7a52cfcc01
Added a doc page for the fix polarize/*
2021-05-28 16:27:03 -05:00
bd1c5592ab
Merge pull request #2784 from akohlmey/set-python-home
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Internally set PYTHONHOME for LAMMPS on Windows
2021-05-27 16:45:34 -04:00
129c517abe
link to copy of GPLv2 inside of LAMMPS distribution
2021-05-27 16:09:28 -04:00
98023e73b9
clarify GPL version and fix URLs
2021-05-27 15:44:56 -04:00
b4e5298bf8
Merge pull request #2783 from stanmoore1/kk_update_3.4.1
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Update Kokkos library in LAMMPS to v3.4.1
2021-05-27 15:10:34 -04:00
86059433f6
Merge pull request #2570 from kipbarrett/pair_rann
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Add new Package USER-RANN with pair style rann for using a neural network to compute energies and forces
2021-05-27 13:07:26 -04:00
8c8e4eaeec
Update Kokkos arch list
2021-05-27 10:48:10 -06:00
e2f702ab63
Merge pull request #2768 from rbberger/doc_versions
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Prepare LAMMPS manual to show multiple versions and downloads
2021-05-27 10:54:43 -04:00
40a5c2de5b
Merge pull request #2782 from jrgissing/bond/react-doc-tweaks
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Bond/react doc tweaks
2021-05-27 10:41:14 -04:00
0713e95873
integrate documentation
2021-05-26 16:55:51 -04:00
f703025c32
whitespace
2021-05-26 16:01:03 -04:00
4b37421318
Add word
2021-05-26 16:00:58 -04:00
c13b1b39ef
Change title and add forum page link
2021-05-26 15:58:30 -04:00
012003c68a
Merge branch 'master' into pair_rann
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# Conflicts:
# cmake/CMakeLists.txt
# cmake/presets/all_off.cmake
# cmake/presets/all_on.cmake
2021-05-26 15:17:30 -04:00
01212881d2
clarify docs
2021-05-26 00:05:21 -04:00
c723fe2345
Update fix_bond_react.rst
2021-05-25 23:54:43 -04:00
04f7cd0fb7
replace non-ASCII characters
2021-05-25 22:13:37 -04:00
04defbf49c
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-05-25 18:57:34 -04:00
c10812644d
correct citation
2021-05-25 17:17:16 -04:00
8c9b29f9ec
Merge branch 'pair-style-nnp' of github.com:singraber/lammps into pair-style-nnp
2021-05-25 14:52:50 -06:00
c55997abca
Minor edits
2021-05-25 14:51:55 -06:00
9e1db61b41
Merge branch 'master' into pair-style-nnp
2021-05-25 16:44:55 -04:00
7cc00e3fed
fix spelling
2021-05-24 16:21:48 -04:00
825182d06c
fix typo. closes #2779
2021-05-24 15:33:48 -04:00
5eb818a02b
the manual, especially the PDF version, has 3 parts
2021-05-24 14:44:47 -04:00
0a6401fb7b
add missing colon
2021-05-24 14:39:39 -04:00
e4b3d8b632
correct table formatting that got broken by changing URLs
2021-05-24 14:38:03 -04:00
3f963ce249
update README/docs about generating the manual and accessing it online
2021-05-24 14:33:00 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
9bafefb4df
Merge branch 'master' into update-homepage-url
2021-05-24 14:05:04 -04:00
61b1126c3d
Merge branch 'master' into pair_rann
...
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
2021-05-24 12:21:04 -04:00
