|
|
5b8763c471
|
Merge branch 'lammps:master' into smooth-gpu
|
2021-05-11 22:22:33 +03:00 |
|
|
|
94a646cd01
|
new accelerator variant: GPU
|
2021-05-11 22:17:29 +03:00 |
|
|
|
c2ddce4c26
|
new accelerator variant: GPU
|
2021-05-11 22:13:37 +03:00 |
|
|
|
228711f59b
|
add GPU device query functions to library interface and its wrappers
|
2021-05-11 14:59:49 -04:00 |
|
|
|
4213ebd2ff
|
Merge branch 'lammps:master' into bond/react-custom_constraint
|
2021-05-11 12:54:46 -06:00 |
|
|
|
3173b39444
|
Update fix_bond_react.rst
restore original docs
|
2021-05-11 01:26:37 -04:00 |
|
|
|
3eef759bb1
|
Merge pull request #2749 from akohlmey/varargs-message-warning
Make warning and info messages vararg compatible and implement "thermo_modify warn"
|
2021-05-10 13:41:23 -04:00 |
|
|
|
d70932bcdd
|
add note about cases where the number of warnings can be larger than the limit
|
2021-05-07 19:46:25 -04:00 |
|
|
|
9d40f85919
|
address spelling issues
|
2021-05-07 18:46:01 -04:00 |
|
|
|
f43b7e0840
|
update and clarify documentation of thermo_modify warn
|
2021-05-07 18:42:45 -04:00 |
|
|
|
427a430b93
|
update list of default settings
|
2021-05-07 09:18:00 -04:00 |
|
|
|
b392b63224
|
clarify non-mixing behavior
|
2021-05-06 18:00:22 -04:00 |
|
|
|
7b9d721c08
|
fix typos
|
2021-05-06 18:00:11 -04:00 |
|
|
|
54884c978a
|
Merge pull request #2742 from rbberger/offline_builds
Add tool to support offline builds
|
2021-05-05 23:54:55 -04:00 |
|
|
|
13fb03cf2c
|
fix typo
|
2021-05-05 23:22:05 -04:00 |
|
|
|
bdbe773a08
|
add documentation for offline building scripts
|
2021-05-05 23:20:01 -04:00 |
|
|
|
f12f9166a5
|
Resolving merge conflicts, updating URLs
|
2021-05-05 11:19:44 -06:00 |
|
|
|
350ec7cc07
|
Updating documentation
|
2021-05-04 17:22:35 -06:00 |
|
|
|
f0cc70b29a
|
implement "thermo_modify warn" to control amount of warnings
|
2021-05-03 14:21:16 -04:00 |
|
|
|
6f5881e151
|
Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
|
2021-04-30 13:26:16 -04:00 |
|
|
|
8d8158396f
|
Merge pull request #2721 from agiliopadua/examples
New examples for FEP calculation and references in doc pages
|
2021-04-30 12:55:57 -04:00 |
|
|
|
b88cdd6890
|
Corrected implementation of ellipsoidal dynamics, made ashared base class for the time-integrators, templated the time-integrators (and so reversed changes that this PR had previously made to random_mars src files), combined docs of all three integrators.
|
2021-04-30 16:30:04 +01:00 |
|
|
|
a9ff9312d6
|
Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
|
2021-04-28 18:13:31 -04:00 |
|
|
|
d315105dfa
|
document line length limit in atomfile variable names
|
2021-04-27 18:43:23 -04:00 |
|
|
|
632e963092
|
add comment to line length truncation limit in data files
|
2021-04-27 18:39:43 -04:00 |
|
|
|
7b1b57aa9b
|
rename utils::fgets_trunc_nl() to utils::fgets_trunc()
|
2021-04-27 18:32:51 -04:00 |
|
|
|
f29744b5bc
|
add documentation for fgets_trunc_nl()
|
2021-04-27 16:21:17 -04:00 |
|
|
|
41c784a8a8
|
Update Build_extras
|
2021-04-26 20:51:35 -06:00 |
|
|
|
95285f9365
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-26 23:52:59 +02:00 |
|
|
|
6b04ebd617
|
Merge branch 'master' into varargs-log-error-functions
|
2021-04-26 13:27:58 -04:00 |
|
|
|
b0cd6b3ef7
|
improve docs also for related functions
|
2021-04-24 22:08:28 -04:00 |
|
|
|
8e5e995188
|
add docs for new utility function
|
2021-04-24 21:32:29 -04:00 |
|
|
|
8fc9eb26bc
|
address spell checker warnings
|
2021-04-23 15:08:20 -04:00 |
|
|
|
49b540381c
|
Merge branch 'master' into dpd_extended
|
2021-04-23 15:03:03 -04:00 |
|
|
|
a9abcadc01
|
one more doc fix
|
2021-04-23 20:09:41 +02:00 |
|
|
|
e28867eed0
|
change doc
|
2021-04-23 20:08:56 +02:00 |
|
|
|
b2bfb26161
|
Merge https://github.com/lammps/lammps into pair_rann
|
2021-04-23 10:35:35 -05:00 |
|
|
|
3ac2b36993
|
add link to Commands_pair.rst
|
2021-04-23 16:10:00 +02:00 |
|
|
|
25c0bb7a31
|
Merge branch 'master' into examples
|
2021-04-22 18:08:32 +02:00 |
|
|
|
e7cb20efeb
|
replace non-ASCII character in docs
|
2021-04-21 23:55:40 -04:00 |
|
|
|
3aec5c6484
|
tweak docs for logmesg() overload
|
2021-04-21 23:50:13 -04:00 |
|
|
|
6ceeee24e2
|
Merge branch 'master' into collected-small-changes
|
2021-04-21 21:59:58 -04:00 |
|
|
|
7e2d40c5fa
|
Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
|
2021-04-21 16:00:01 -04:00 |
|
|
|
1c80c9455b
|
whitespace fixes
|
2021-04-21 14:58:57 -04:00 |
|
|
|
a64a7d5096
|
Merge pull request #2714 from julient31/STT2
Improvement of the SPIN package by removing a limitation
|
2021-04-21 14:55:17 -04:00 |
|
|
|
b1dd616a2f
|
correcting a small typo in the checks, and adding a note in the
documentation of fix precession/spin about the error if a (0,0,0) vector
is given as an input.
|
2021-04-21 07:43:00 -06:00 |
|
|
|
08f4c30051
|
Merge branch 'master' into refactor-reaxff-parser
|
2021-04-20 20:52:18 -04:00 |
|
|
|
daf984835c
|
whitespace
|
2021-04-20 17:31:43 -04:00 |
|
|
|
56be6d8ec2
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-20 23:20:14 +02:00 |
|
|
|
2045667902
|
document QEQ package incompatibilities
|
2021-04-20 14:55:09 -04:00 |
|
