Commit Graph

785 Commits

Author SHA1 Message Date
d39354d569 docs: proposal for pdf title page customization 2024-08-18 22:31:06 -06:00
0b54a0b1e3 docs: add :lammps: role
This allows to write :lammps:`command` for inline highlighting of LAMMPS
code.
2024-08-18 07:42:46 -06:00
bd0574c11d Merge remote-tracking branch 'github/develop' into collected-small-fixes 2024-08-08 13:43:25 -04:00
6bc0cae2d4 fix up fix colvars docs 2024-08-07 16:07:58 -04:00
dcb3871e58 doc integration of gerurl 2024-08-07 09:37:49 -04:00
e73e522e40 update docs for installing LAMMPS-GUI 2024-08-02 10:19:42 -04:00
75b09ed143 discuss in more detail MPI support in PyLammps. Some small improvements in MPI support
MPI related changes are:
 - Raise exception in PyLammps.eval() if called from MPI rank
 - Print (some) informational and warning messages only from MPI rank 0
2024-07-30 11:27:31 -04:00
c8818a16c5 Add menu entries to open LAMMPS tutorial website 2024-07-25 22:14:06 -04:00
3017630c01 Merge remote-tracking branch 'github/develop' into collected-small-fixes 2024-07-18 18:40:22 -04:00
1ed6e153b6 Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
2024-07-18 18:38:51 -04:00
dc84078156 spelling 2024-07-16 19:15:31 -04:00
6f8bedd01c sync minimum sphinx version with requirements file 2024-07-15 14:14:13 -04:00
7cfc34e45d the source_suffix option is supposed to be a map 2024-07-15 14:08:19 -04:00
0fb7493658 spelling fixes 2024-07-03 19:17:11 -04:00
b1d1213dfd reformate, make small corrections, align with other doc files and use sphinx-design to make html more compact 2024-06-26 07:30:50 -04:00
44b66cb56b various documentation fixups, dedup references, wrap paragraphs, adjust underlines, add missing index 2024-06-26 07:26:03 -04:00
e3fb1f24bd Merge branch 'develop' into collected-small-changes 2024-06-25 19:41:45 -04:00
9a41f6aedf spelling updates 2024-06-23 04:21:01 -04:00
b8cbd1bfc3 use proper technical term 2024-06-22 14:26:24 -04:00
6d1fb9eb62 fix typo 2024-06-20 20:31:24 -04:00
ddec24308c small docs and spelling corrections and updates 2024-06-19 15:04:14 -04:00
4e0bf6137d Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
2024-06-19 11:43:32 -04:00
f5253eb926 Merge pull request #4174 from akohlmey/atom-map-library-interface
Add support for extracting a few more properties and the Atom::map() function to the library interface
2024-06-04 13:23:31 -06:00
1a83fefc70 add false positive 2024-05-29 08:38:54 -04:00
1697f2a465 Merge branch 'develop' into remove-i-pi 2024-05-29 08:36:01 -04:00
1cf1f0daab update false positives 2024-05-28 20:04:12 -04:00
fdbaf6feff spelling fix and update false positives 2024-05-25 00:22:38 -04:00
4b81337b6a add documentation for new special variable functions 2024-05-23 00:09:54 -04:00
9e755cd0af Merge branch 'lammps:develop' into ml-uf3 2024-05-13 15:10:58 -04:00
daedaaccdc add missing false positive 2024-05-05 12:50:30 -04:00
42a4e63061 Merge branch 'lammps:develop' into ml-uf3 2024-04-17 16:45:33 -04:00
94a95b56e6 Merge remote-tracking branch 'github/develop' into collected-small-changes 2024-04-16 22:42:48 -04:00
329d546eea Merge pull request #4078 from jmgoff/pace-mliap
Update ML-IAP for ACE support
2024-04-16 22:42:17 -04:00
27266e72c4 Merge pull request #3984 from lammps/general-triclinic
Add suppport for general triclinic simulation boxes and systems
2024-04-16 21:04:59 -04:00
89d98786ec small doc formatting and spelling fixes 2024-04-16 19:33:14 -04:00
1924a06466 Merge branch 'develop' into collected-small-changes
# Conflicts:
#	python/lammps/pylammps.py
2024-04-15 17:21:38 -04:00
01b1d047a2 Merge branch 'lammps:develop' into ml-uf3 2024-04-13 18:56:07 -04:00
17d04ce41a Merge remote-tracking branch 'github/develop' into restricted-angle 2024-04-13 02:45:53 -04:00
f557dfdebb mention typelabel paper 2024-04-11 23:36:11 -04:00
e979e8dc01 spelling add false positives 2024-04-09 22:36:49 -04:00
972d412186 flag false positives 2024-04-03 20:53:44 -04:00
ed0cff92de Merge remote-tracking branch 'github/develop' into general-triclinic 2024-04-02 09:41:21 -04:00
b712e46497 doc fixes 2024-03-29 21:00:51 -04:00
fda433a7ee reformat and fix spelling and related issues 2024-03-27 06:53:03 -04:00
d97c7fffac spelling 2024-03-17 15:13:13 -04:00
01d412bdbf Merge branch 'develop' into general-triclinic 2024-03-08 21:32:01 -05:00
35db949e77 Merge pull request #4069 from vladgl/fix_wall_flow
New fix implementing flow boundary conditions
2024-02-26 12:46:20 -05:00
66701ef1e2 complete rebomos docs 2024-02-23 17:29:31 -05:00
49886caaf1 add OPENMP package version of pair style rebomos 2024-02-22 15:17:46 -05:00
71e0d506e7 spelling 2024-02-22 04:56:27 -05:00