Commit Graph

3892 Commits

Author SHA1 Message Date
bc0ff0db61 Commit2 JT 092319
- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
2019-09-23 13:48:33 -06:00
56e1a05287 Commit JT 092319
- modified norm input in min_modify
- corrected doc/src/min_modify.txt
- added expression of the norms
- added a min max method in src/min.h
2019-09-23 11:12:31 -06:00
36f417ac14 Add files via upload 2019-09-23 18:23:15 +02:00
03de73f66f rename "ballistico" keyword to "eskm" to match dynamical_matrix 2019-09-23 11:54:26 -04:00
2da6083df2 fully integrate third_order command into manual and READMEs 2019-09-23 11:53:37 -04:00
804a49c3ea Merge branch 'master' into third_order 2019-09-23 11:39:01 -04:00
b681e6e82d Delete fix_wall_maxwell.txt 2019-09-23 16:12:49 +02:00
9db380f335 Delete fix_wall_cl.txt 2019-09-23 16:12:26 +02:00
a2e706916c Delete fix_wall_diffusive.txt 2019-09-23 16:11:49 +02:00
cf1c31cd3d Added third order, added documentation, took out extraneous lines, added documentation figures. 2019-09-20 14:42:04 -07:00
aa2b885783 Merge pull request #1687 from akohlmey/next_patch_release
Step version string for next patch release
2019-09-19 17:18:12 -04:00
6f06b3ecf1 Merge pull request #1645 from jrgissing/bond/react-max_rxn-bug
Bond/react: max_rxn bugfix + restart reaction counts
2019-09-19 15:21:40 -04:00
b7d9337da4 remove a tab 2019-09-19 15:13:53 -04:00
077647b4e2 whitespace cleanup 2019-09-19 14:54:48 -04:00
95f59f5bf1 cosmetic changes 2019-09-19 13:58:30 -04:00
5c74782c84 step version for next patch release 2019-09-19 11:54:24 -04:00
b0b340051c Merge pull request #1684 from akohlmey/cxx-11-test
Implement test for C++11 and document it
2019-09-19 11:46:08 -04:00
ed6dd1a632 Merge pull request #1666 from tanmoy7989/local_density
added LD potential and wrote html-style doc
2019-09-19 11:45:46 -04:00
d4dbc32ba2 Merge pull request #1672 from akohlmey/dump-with-unit
Add ITEM: UNITS line to native text format dumps
2019-09-19 10:31:13 -04:00
eab66f27fd Merge pull request #1681 from akohlmey/collected-small-fixes
Collected small changes for next patch release
2019-09-19 10:27:54 -04:00
b049b59015 revised documentation and added a citation trigger in .cpp file 2019-09-19 00:25:22 -07:00
5dba4b66c8 add warning banner to the LAMMPS output and refer to the C++11 issue on github 2019-09-18 16:56:14 -04:00
2ea11b3195 implement test for C++11 and document it 2019-09-18 15:50:26 -04:00
98f94ea7a2 Add files via upload 2019-09-18 21:25:43 +02:00
14e8bb75dd Delete fix_wall_Maxwell.txt 2019-09-18 21:21:42 +02:00
fe92e13dcf Delete fix_wall_ACL.txt 2019-09-18 21:20:53 +02:00
572235e66a Merge pull request #1660 from tanmoy7989/reorder_remd_traj
python tool to reorder replica traj
2019-09-17 17:29:50 -04:00
739269138b Add files via upload 2019-09-17 21:29:33 +02:00
aba472df3b removed excess line in langevin docs 2019-09-17 12:25:07 -07:00
eba10b10e8 Merge remote-tracking branch 'origin/master' into lammps_gjf 2019-09-17 12:08:12 -07:00
8ff6122560 correct documentation of improper style fourier 2019-09-17 14:48:11 -04:00
0c9697a685 documentation whitespace cleanup 2019-09-17 08:35:20 -04:00
3e4f1d1cb8 replace tabs 2019-09-17 08:02:30 -04:00
f81c1aae26 Merge branch 'master' into hybrid-svector-fix 2019-09-16 22:28:48 -04:00
971f4763e3 removed text referencing removed graphs 2019-09-16 16:36:50 -07:00
aa8b61e8f8 Add files via upload 2019-09-16 16:55:41 +02:00
b4d187b056 Add files via upload 2019-09-16 16:42:00 +02:00
0366a5aae9 Fix langevin changed <utils.h> to utils.h 2019-09-14 00:13:05 -07:00
09b6794631 Updated fix langevin errors and warnings as well as associated doc files. Updated fix langevin kokkos errors and warnings as well as associated doc files 2019-09-13 23:25:48 -07:00
c37d001178 fix stupid typo 2019-09-13 16:13:16 -04:00
c1e7294b42 Merge branch 'master' into kk_ports 2019-09-13 12:30:53 -04:00
e8f94447f7 Merge branch 'master' into hybrid-svector-fix 2019-09-13 12:28:45 -04:00
4593e159ef update docs to indicate KOKKOS support for dihedral style harmonic 2019-09-13 12:25:23 -04:00
5a07db8465 tweak docs for dump_modify units command some more 2019-09-13 12:07:39 -04:00
0a176d48d8 clarify that each created file will have the ITEM: UNITS lines 2019-09-13 11:59:55 -04:00
1f9decadf8 fix typo 2019-09-13 08:03:02 -04:00
0c52a7ed70 update documentation 2019-09-12 15:23:15 -04:00
fa164fffba explain new semantics for accessing pN for hybrid styles 2019-09-12 13:59:05 -04:00
1631ecb3fe integrate pair style local density into manual builds 2019-09-11 14:18:27 -04:00
ae1054a243 change formatting so that sphinx is happier 2019-09-11 14:17:53 -04:00