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17336 Commits

Author SHA1 Message Date
Steven Strong f548e2717e add new false positives 2019-04-24 17:31:44 -05:00
Dan S. Bolintineanu 6088f2a6a2 One more bug in pair_granular.cpp, where JKR cutoff was incorrectly computed. Thanks to Ishan Srivastava for finding this one 2019-04-23 22:58:42 -06:00
Dan S. Bolintineanu 0673f6f2b9 Fixes a bug in pair granular that caused JKR cutoffs to be set incorrectly when multiple types with multiple cohesion values are used 2019-04-23 15:52:32 -06:00
Mingjian Wen 4c19eab64c Bugfix no 3 nearest neighbors for ghost atoms near boundary 2019-04-23 14:39:47 -05:00
Mingjian Wen c6d0f7ca87 Update equations 2019-04-19 14:27:03 -05:00
Mingjian Wen ba7882c1ff Add parameter file and example 2019-04-19 14:17:57 -05:00
Mingjian Wen d3c5d7e423 Add documentation 2019-04-19 13:56:26 -05:00
Steven Strong dec1ad19b5 added e3b.jpg 2019-04-19 10:33:51 -05:00
Adrian Diaz 37d84de09c flushing buffer to see more messages for error->one calls 2019-04-18 15:55:21 -06:00
Steven Strong 941281e9e9 fixed isnan error 2019-04-18 10:11:00 -05:00
Mingjian Wen e700ccd4df Update header 2019-04-17 22:11:24 -05:00
Mingjian Wen 4621af4b9d Modify to accept NULL for pair_coeff 2019-04-17 21:34:55 -05:00
Mingjian Wen f27ed871f9 Uncrustify code 2019-04-17 18:11:31 -05:00
Mingjian Wen 16bb8a1439 Clean up comments 2019-04-17 16:58:18 -05:00
Mingjian Wen d6f3a95599 Remove unused variables and methods 2019-04-17 10:53:45 -05:00
Mingjian Wen cb30414820 Add contribution to virial and atom virial 2019-04-17 10:05:05 -05:00
Dan S. Bolintineanu ebee2b588c Merge branch 'gran_mods' of github.com:dsbolin/lammps into gran_mods 2019-04-16 17:00:10 -06:00
Dan S. Bolintineanu 4b2388339e Fixes bug in calculation of relative tangential velocity for granular wall particle interactions. 
Thanks to Andrew Santos for providing a test case that reveals this.
 2019-04-16 16:59:21 -06:00
Dan S. Bolintineanu 1d4372c24d Fixes bug in calculation of relative tangential velocity for granular wall particle interactions 2019-04-16 16:40:41 -06:00
Mingjian Wen 82a87322ed Get the same forces as KIM implementation 2019-04-16 16:54:17 -05:00
Mingjian Wen 5fb164d586 Get total energy correct 2019-04-16 15:04:16 -05:00
Steven Strong 4c565db9af update contrib authors 2019-04-16 11:50:33 -05:00
Steven Strong 0eebb31903 update contact info 2019-04-16 11:48:45 -05:00
Steven Strong 69e7a2a237 add e3b water model 2019-04-16 11:32:47 -05:00
Mingjian Wen 835fce7a5e Copy all function from KIM implementation to PairDRIP 2019-04-16 10:51:20 -05:00
Mingjian Wen fdaa3f48e9 Modify all methods other than compute 2019-04-15 22:38:51 -05:00
Mingjian Wen 2bdd9b7544 Remove single 2019-04-15 20:14:10 -05:00
Mingjian Wen 100f17077c Create pair_drip by copying KC files 2019-04-15 19:27:41 -05:00
Dan S. Bolintineanu 0b24a3d830 Added a 'mass_velocity' damping option to the new granular pair styles and granular wall interaction. 
This is to more closely match the old style pair gran/hooke/* damping behavior.
Updated doc page accordingly, as well as adding some examples on how to match old pair gran/* styles.
 2019-04-15 16:14:02 -06:00
Eisuke Kawashima 2e9404acdf
Fix typo [skip ci] 2019-04-15 16:06:36 +09:00
Jacob Gissinger 80431612c7
Merge pull request #47 from lammps/master 
rebase
 2019-04-14 20:11:37 -06:00
Dan S. Bolintineanu d0826f2838 Added granular example input scripts 2019-04-13 23:52:30 -06:00
Dan S. Bolintineanu d33a30806a Minor code clean up in pair_granular.cpp 2019-04-13 23:37:46 -06:00
Dan S. Bolintineanu 14d3d09de3 Fixed several errors in granular doc pages, particularly coefficients in examples 2019-04-13 23:36:40 -06:00
julient31 5e3929de56 Commit2 JT 041019 
- correct spelling in Howto_spin.txt
 2019-04-10 13:35:58 -06:00
julient31 70c816aa02 Commit JT 041019 
- corrected setforce/spin
- added an example
- added the documentation (in setforce)
- updated the Howto_spin documentation
 2019-04-10 13:18:33 -06:00
julient31 3d7b387786 Commit JT 040919 
- first working version of setforce
- modified fix nve/spin to account for it
 2019-04-09 16:57:27 -06:00
Dan S. Bolintineanu 4af22a723d Fixes several bugs in fix wall/gran, wall/gran/region: 
1. Radius of curvature for curved regions was incorrectly used to compute wall-particle overlaps
2. Uninitialized values of rolling and twisting history could produce crashes in
cases that don't initialize these to 0 by default. These are now initialized to 0.
3. Fixed a bug with the use of 'NULL' for specification of the tangential stiffness for
wall/gran and wall/gran/region
 2019-04-09 16:40:49 -06:00
Axel Kohlmeyer 915c3a6001
step version number for next patch release 2019-04-09 03:06:04 -04:00
julient31 8ec231a8e5 Commit JT 040819 
- corrected bug in fix nve/spin (init tables with grow)
- start work for fix setforce/spin
 2019-04-08 16:54:25 -06:00
Stan Moore c11b1edc1f Avoid spell checker error 2019-04-08 16:35:36 -06:00
Axel Kohlmeyer db74f14f33
Merge branch 'master' into report-uninstalled-pkg-style 
# Conflicts:
#	cmake/CMakeLists.txt
 2019-04-08 17:16:30 -04:00
Axel Kohlmeyer 69c1a7954a
correct test for leftovers from conventional builds 2019-04-08 17:14:59 -04:00
julient31 b8ae466999 Commit4 JT 040819 
- added unknown names/acronyms in doc/utils/sphinx-config/false_positives.txt
 2019-04-08 14:00:49 -06:00
Stan Moore fbda72891c Fix spelling error 2019-04-08 13:41:33 -06:00
Stan Moore ece46dbfa5 Small tweak to Kokkos docs 2019-04-08 13:12:21 -06:00
Stan Moore 2bb69773d3 Update Kokkos docs 2019-04-08 13:07:29 -06:00
Stan Moore 77d80c84c9 Change defaults for KOKKOS package 2019-04-08 12:37:49 -06:00
Stan Moore aa336c2bb4 Merge branch 'master' into kk_binsize 2019-04-08 12:07:58 -06:00
julient31 814b9b9378 Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin 2019-04-08 11:26:48 -06:00