Commit Graph

8348 Commits

Author SHA1 Message Date
d51017ff50 Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
2022-01-26 12:04:44 -05:00
0b693e729d Whitespace 2022-01-24 17:33:36 -07:00
c914fc6baf Small doc tweak 2022-01-24 16:33:11 -07:00
67af170929 Sorting is not required for balancing 2022-01-24 16:22:55 -07:00
aeb25b5a37 Tweak docs 2022-01-24 15:28:40 -07:00
1d60e4c463 Add docs 2022-01-24 15:16:49 -07:00
3311b1344c consolidate pair-wise vs pairwise spelling 2022-01-21 10:48:35 -05:00
3a6bd2e698 update comment about pair_write restrictions 2022-01-21 10:47:49 -05:00
1e7969c7b9 add new pair styles harmonic/cut and harmonic/cut/omp 2022-01-15 19:34:47 -05:00
e3dd2908d9 Step version strings for the next patch release 2022-01-06 19:42:45 -05:00
1f924e9fc1 Merge pull request #3071 from akohlmey/collected-small-changes
Collected small changes and bug fixes
2022-01-06 19:22:30 -05:00
8e0622d523 Merge pull request #3046 from donatas-surblys/centroid-stress-constraint-rigid
Centroid atomic stress for shake, rattle and rigid/small
2022-01-05 12:36:27 -05:00
e5416a9fee update documentation for new centroid stress for shake and rigid/small 2022-01-05 19:02:25 +09:00
8439f87b76 make consistent with other reference 2022-01-03 18:26:56 -05:00
de404d1ed8 Merge branch 'update_doc_file' of github.com:jddietz/lammps into collected-small-changes 2022-01-03 18:26:01 -05:00
a9a568aefa Updated references for pair_nm.rst 2022-01-03 11:50:04 -10:00
90726ca088 explain that the computed force in python pair is force/r same as in Pair:single() 2022-01-03 10:12:51 -05:00
f3c5593c50 correct code example 2022-01-01 16:40:54 -05:00
cf9429dc68 implement overloads so that utils::*numeric() functions can be safely used with std::string() 2021-12-30 11:03:37 -05:00
b39d1993bb Merge pull request #3052 from lammps/time-dumps2
Time-dependent dumps for variable timestep (alternate implementation)
2021-12-23 16:34:12 -05:00
6af36075ba Merge pull request #3064 from rbberger/collected-small-changes
Collected small changes and fixes
2021-12-23 16:13:35 -05:00
23f1c9de60 Merge branch 'develop' into time-dumps2 2021-12-23 14:29:04 -05:00
3748a14582 warn about problems with the MPIIO package 2021-12-23 01:59:45 -05:00
09944f5d7a Merge pull request #2996 from stanmoore1/compute_phase
Add compute ave/sphere/atom
2021-12-22 21:16:25 -05:00
8f62cd79f4 add missing list entry 2021-12-22 19:55:06 -05:00
cde7dd34fd Doc update 2021-12-21 16:46:53 -07:00
1bbf45784b Rename and relocate 2021-12-21 16:29:11 -07:00
5932a3f6f9 Merge branch 'develop' of github.com:lammps/lammps into big_dump_sort 2021-12-21 12:58:24 -07:00
8ed35832f4 Merge branch 'develop' into time-dumps2 2021-12-21 14:16:23 -05:00
e06222099a Small tweak to docs 2021-12-21 11:51:30 -07:00
ded48cc031 more optimizations and extend to other dump styles 2021-12-21 10:57:42 -07:00
2533abb266 Add doc page 2021-12-21 10:46:23 -07:00
97b5651633 minor correction to angle class2 2021-12-20 10:33:05 -07:00
b3fcda3214 Merge pull request #3057 from akohlmey/next_patch_release
Step version strings for the next patch release
2021-12-14 17:08:29 -05:00
4be0e0a4e5 Merge branch 'develop' of https://github.com/lammps/lammps into big_dump_sort 2021-12-14 08:00:14 -07:00
ccdb939a40 Merge pull request #3054 from nw13slx/rerun_bin
Support binary native dump files with read_dump and rerun
2021-12-13 19:22:00 -05:00
2b85799729 Updating MISC to EXTRA-X in doc files 2021-12-13 12:27:00 -07:00
94ac1ad4a0 update version strings for the next patch release 2021-12-13 11:56:44 -05:00
94d5c75fdf small updates for docs and comments 2021-12-12 18:11:33 -05:00
913b1536d4 whitespace 2021-12-11 21:18:33 -05:00
86b696c78c Merge branch 'develop' into rerun_bin 2021-12-11 20:31:48 -05:00
d59458fa37 clean up commands and documentation 2021-12-11 17:24:27 -05:00
abd3df0c5a Merge pull request #3040 from akohlmey/collected-small-changes
Collected small changes and bugfixes
2021-12-10 15:51:13 -05:00
fa8e2ccee8 Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
2021-12-10 13:42:31 -05:00
e1e46b5322 Merge pull request #3033 from rbberger/unittest_tags
Add tags to force-style unit tests
2021-12-09 18:11:08 -05:00
0e4e830c79 document "slow" and "unstable" labels for unit tests 2021-12-09 17:02:20 -05:00
754610b9ee Merge pull request #3041 from oywg11/modified-sw-potential
A modified Stillinger-Weber potential for transition metal dichalcogenide
2021-12-09 09:43:49 -05:00
d4149e9139 bug fixes to make a series of test inputs run correctly 2021-12-08 16:44:51 -07:00
bea273fc3a correct docs for pair style local/density 2021-12-08 00:22:37 -05:00
6314290558 clarify docs for bond style fene/nm/split and rename to fene/nm 2021-12-06 16:21:12 -05:00