75ddde438c
Commit JT 031219
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- correct errors in fix_prec_spin
- clean version of spinmin
2019-03-12 14:38:49 -06:00
3a4bb6f980
All errors and warning are now printed through LAMMPS
2019-03-12 20:19:56 +01:00
cc2b5fbb80
Commit JT 031119
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- add min_post_force in precession
2019-03-11 17:37:44 -06:00
e0c935b52d
Additional changes to pair_granular:
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-added mindlin and mindlin/rescale tangential model options
-torque from tangential force is now applied at the same point on both contacting particles
-updated doc page to reflect changes above
2019-03-11 14:28:44 -06:00
aecef752e8
Remove unnecessary data movement in fix_nve_kokkos
2019-03-11 13:41:20 -06:00
5fff18932d
Commit 2 JT 031119
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- new input files gneb and spinmin
2019-03-11 13:23:55 -06:00
14a00662e6
Commit JT 031119
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- first working version of spinmin
2019-03-11 13:04:03 -06:00
e422e886de
Add error check for team on and full neighborlist
2019-03-08 11:33:29 -07:00
069853fd10
Merge branch 'master' into team
2019-03-08 11:32:31 -07:00
c3acb3e4ef
Merge pull request #1361 from akohlmey/collected-small-changes
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Collected small changes for the next patch release
2019-03-08 12:11:59 -05:00
84773f9d1d
Merge branch 'master' of github.com:stanmoore1/lammps into team
2019-03-08 08:31:48 -07:00
4e2ebf7feb
Merge pull request #1352 from mkanski/reax_var_atoms
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A partial fix for ReaxFF failure when the number of atoms increases during a simulation
2019-03-07 15:44:15 -05:00
2077df5465
Merge pull request #1363 from stanmoore1/kk_deprecated
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Remove deprecated code in KOKKOS package
2019-03-07 15:42:58 -05:00
e62746ef27
protect group command against options that require unavailble properties resulting in segfaults
2019-03-07 15:38:23 -05:00
a5c93e75a5
ignore src/lmpgitversion.h
2019-03-07 15:12:22 -05:00
3bc815efe8
fix a memory leak in fix bocs
2019-03-07 15:11:33 -05:00
9cb2a56194
Remove deprecated Kokkos code
2019-03-07 10:47:40 -07:00
0edc588458
Replace deprecated Kokkos capacity() with span()
2019-03-07 10:23:17 -07:00
f0e48931e4
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
ff7276e494
Clean up the fused comm
2019-03-07 08:56:13 -07:00
553714b0bb
Merge branch 'master' into team
2019-03-07 08:42:24 -07:00
9408dd6e92
use simpler way whether we are inside a git checkout in conventional build
2019-03-06 18:41:43 -05:00
4e632d1b79
implement another suggestion from @junghans
2019-03-06 17:32:08 -05:00
2918dae87e
correct variable name and path to find the local .git folder
2019-03-06 17:12:41 -05:00
fe56cf04bc
simplify the detection of whether the source folder is checked out from a local git repo
2019-03-06 17:04:14 -05:00
436e02aa6e
small corrections/clarifications to the pull request template
2019-03-06 16:59:17 -05:00
4ee98d18da
Fixed missing reference in pair_granular doc page
2019-03-06 14:15:19 -07:00
9a6dc2ff11
Removed several files that should not have been included
2019-03-06 13:54:32 -07:00
c0ce8591e7
Merge pull request #1358 from ellio167/kim-link-update
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Update openkim.org urls in various places
2019-03-06 12:22:12 -05:00
b628e3b1b6
Update openkim.org urls in various places
2019-03-06 10:26:03 -06:00
4a17cb3467
Merge pull request #1357 from akohlmey/embed-git-revision
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Embed git branch and revision info into LAMMPS class
2019-03-05 23:31:16 -05:00
c5a3b034ce
implement various suggestions to improve the use of git information gathered
2019-03-05 17:29:34 -05:00
bfa950a7e9
Added initialization for grown arrays
2019-03-05 22:40:10 +01:00
390fc873bc
Merge pull request #1355 from julient31/bfo_spin
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bugfix update for SPIN package
2019-03-05 14:27:28 -05:00
6b8a768f6c
Merge pull request #1356 from akohlmey/address-user-smtbq-vla-issue
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Address Variable-Length-Array issues, memory leaks, uninitialized data access issues in USER-SMTBQ
2019-03-05 14:26:30 -05:00
146e2f283a
Better error handling in reaxc_forces
2019-03-05 19:11:33 +01:00
1c7d191988
also print git version (if available) in multi-partition runs and in help message
2019-03-05 09:03:12 -05:00
1e573bd557
when compiling LAMMPS in a git checkout, embed and print git branch and revision info into the executable
2019-03-05 08:35:53 -05:00
bc4a80d9e8
Merge pull request #1354 from akohlmey/collected-small-fixes
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Collected small fixes and updates for the next patch release
2019-03-05 00:55:36 -05:00
fa7b5ecfa3
disable chimet array in pair style smtbq, which was never set anywhere
2019-03-05 00:45:40 -05:00
6ed8fbbd51
handle uninitialized data access issues and out-of-bounds access for single element calculations
2019-03-04 18:01:55 -05:00
0d1524526a
work around the remaining variable length array cases. fix an off-by-one error, too.
2019-03-04 17:26:55 -05:00
ab0c35be93
Commit JT 030419
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- correction of pair_spin calculations
- corrects an error between i and ii lists in single/pair calc.
2019-03-04 08:04:11 -07:00
849e52040a
Merge branch 'clean-master2' of github.com:julient31/lammps into bfo_spin
2019-03-04 07:51:12 -07:00
edd4b0cf25
Commit JT 030419
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- added minspin
- modifs before co
2019-03-04 07:35:02 -07:00
f0ec2e3279
refactoring of global and local hyper, including amended doc pages
2019-03-01 18:47:34 -07:00
5ecbb8bd01
fix int vs. bigint issue and add NULL file pointer check to dynamical_matrix
2019-03-01 09:46:13 -05:00
30ee2f3d78
avoid windows portability issues with int32_t
2019-03-01 09:37:38 -05:00
0f0a65bb48
plug small memory leak in USER-ADIOS
2019-03-01 09:37:33 -05:00
d8845b6817
Added initialization of the entire num_bonds and num_hbonds arrays
2019-03-01 13:13:11 +01:00
