Commit Graph

3892 Commits

Author SHA1 Message Date
2e1da2958d resolve toctree and paper anchor issues 2019-04-05 11:04:11 -04:00
85a0461a48 reword and reformat text in Howto_bioFF.txt a little bit. add warnings about msi2lmp's age and lack of maintenance 2019-04-05 10:53:23 -04:00
5d3801cb12 Include info for COMPASS in the Howto section 2019-04-05 15:50:58 +02:00
619c2322e5 Merge remote-tracking branch 'upstream/master' into fix-elstop 2019-04-04 10:03:36 +03:00
0d78c7b43d fix elstop: Rename to fix electron/stopping 2019-04-04 09:57:15 +03:00
bd923d8bd4 fix second typo in the same word. i need a break... :-( 2019-04-02 17:33:35 -04:00
4a003644fe fix typo 2019-04-02 16:41:02 -04:00
34b023456b add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions 2019-04-02 15:28:48 -04:00
98bd720c68 improved formatting of cmake settings and presets related docs 2019-04-02 14:56:51 -04:00
4824992a1e update documentation for recent changes to CMake presets 2019-04-02 14:31:13 -04:00
0ab65c0343 update docs for building LAMMPS for windows 2019-04-02 07:12:55 -04:00
800f3a81b1 update documentation for changes in USER-INTEL support in CMake 2019-04-02 06:59:19 -04:00
91f3a94851 fix typo in docs 2019-04-02 05:49:25 -04:00
677974573a Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin 2019-04-01 16:12:11 -06:00
053bdea234 fix elstop: Use inline LaTeX for equation 2019-04-01 12:27:50 +03:00
7688ead60f add pair style granular to pair style overview page in manual 2019-04-01 04:42:56 -04:00
971bce7428 address formatting issue in pair granular docs 2019-03-30 23:33:54 -04:00
5065350081 improve kim-query documentation 2019-03-30 23:19:31 -04:00
d000c6883b Mention need to build HMA as USER pacakge 2019-03-29 15:41:15 -04:00
560ccb2719 Merge pull request #1387 from akohlmey/next-patch-release
Step version string for next patch release
2019-03-29 14:25:45 -04:00
26c40a262d Merge remote-tracking branch 'upstream/master' 2019-03-29 11:46:28 -04:00
17cd650622 Merge branch 'master' into collected-small-changes 2019-03-29 11:35:15 -04:00
4eafb624b7 Merge pull request #1392 from ellio167/kim-2.0.2
Updates for kim-api-2.0.2 release
2019-03-29 11:31:00 -04:00
30929d95e2 Merge pull request #1342 from dsbolin/gran_mods
New generalized granular pair style added
2019-03-29 10:37:07 -04:00
75382cf265 update documentation tweaks to run cleanly 2019-03-29 10:34:34 -04:00
13255d6338 step version to 29 March 2019 2019-03-29 09:20:33 -04:00
1bf5047c7a document new CUDA_MPS_SUPPORT option in CMake 2019-03-28 18:03:54 -04:00
9d0e518cc5 Updates for kim-api-2.0.2 release 2019-03-28 15:35:22 -05:00
eab939af23 add a note about the lack of stress/atom in USER-INTEL to the manual 2019-03-28 12:47:06 -04:00
2fa6e913ef Merge branch 'master' into gran_mods 2019-03-28 11:46:44 -04:00
5210c4c3a4 cosmetic reformatting of new GRANULAR files 2019-03-27 16:58:14 -06:00
e63d2cee87 Merge pull request #1375 from akohlmey/install-python-for-cmake
Refactor python module installer and add install-python target to CMake
2019-03-27 16:47:25 -04:00
de893c8cdd Merge remote-tracking branch 'upstream/master'
Conflicts:
	doc/src/compute.txt
2019-03-27 10:05:04 -04:00
af8f06141f Step version string for next patch release 2019-03-26 23:02:07 -04:00
03e86c4d17 update python module installation instructions 2019-03-26 22:49:21 -04:00
9d22f82ba7 update PyLAMMPS documentation/tutorial for CMake and the refactored installation process 2019-03-26 22:42:09 -04:00
5a6a8a9e57 Merge pull request #1379 from lammps/hyper
Hyper-dynamics update
2019-03-26 16:30:37 -04:00
b8747ce8fb Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
Conflicts:
	doc/src/min_modify.txt
	doc/src/min_spin.txt
	examples/SPIN/spinmin/in.spinmin.bfo
	examples/SPIN/spinmin/in.spinmin.iron
	src/SPIN/fix_precession_spin.cpp
	src/SPIN/min_spin.cpp
	src/SPIN/min_spin.h
	src/SPIN/pair_spin_dmi.cpp
	src/SPIN/pair_spin_exchange.cpp
2019-03-26 10:59:21 -06:00
8c99752cec Add fix elstop to USER-MISC
Implements inelastic energy loss for fast particles in solids.
2019-03-26 10:08:20 +02:00
19d25203ad add min_style spin to commands overview 2019-03-25 21:05:13 -04:00
36b645d238 add min_spin page to toclist 2019-03-25 20:46:42 -04:00
81a4d293db Commit4 JT 032519
- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
2019-03-25 15:43:58 -06:00
7a00997a14 Commit2 JT 032519
- added equations for documentation
- updated examples (not calling fix nve/spin)
- replaced error message by warning in all pair/spin
2019-03-25 14:03:28 -06:00
a726362888 Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
2019-03-25 12:57:42 -06:00
2f20581b29 Merge pull request #1374 from akohlmey/collected-small-fixes
Collected small changes for the next patch release
2019-03-25 13:15:45 -04:00
5554deda39 fixed 2 spelling errors 2019-03-25 10:07:07 -06:00
881cc71a44 Merge branch 'master' into hyper 2019-03-25 09:21:09 -06:00
3464464ea9 Update kim example query and log files 2019-03-22 20:20:47 -05:00
22be3bd37e fix spelling error and add false positives for spellchecking 2019-03-22 17:33:16 -04:00
f69173f410 partial documentation update 2019-03-22 17:25:03 -04:00