677974573a
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
2019-04-01 16:12:11 -06:00
560ccb2719
Merge pull request #1387 from akohlmey/next-patch-release
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Step version string for next patch release
2019-03-29 14:25:45 -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
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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
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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
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Refactor python module installer and add install-python target to CMake
2019-03-27 16:47:25 -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
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Hyper-dynamics update
2019-03-26 16:30:37 -04:00
b8747ce8fb
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
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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
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
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- 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
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- 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
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- 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
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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
52f9e4a960
allow overriding the location of the molfile plugin headers with CMake
2019-03-22 14:11:02 -04:00
c23ace9c97
Commit JT 032219
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- fixed bug 1: precession_spin had no min_setup
- fixed bug 2: incorrect init of spins in neb/spin
- improved doc min_spin.txt (added eqs, and connected to related
files).
2019-03-22 11:52:09 -06:00
2cbf56846a
Commit JT 032019
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- moved gneb files from src/REPLICA to src/SPIN
- changed name of min/spin
- implemented read_param in min.cpp and min_spin.cpp
- set sp_flag tests in min_spin.cpp and neb_spin.cpp
2019-03-20 10:41:36 -06:00
2dbc2c5916
fix spelling issues in documentation and some minor clarification
2019-03-19 16:04:53 -04:00
1c3e3ce548
add kim_query command to commands list
2019-03-19 15:57:19 -04:00
38c373a0e4
integrate new kim_query command into the documentation environment
2019-03-19 15:42:35 -04:00
0d4dbb8d73
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
2019-03-19 09:01:27 -06:00
2bac365081
support old style PDF build for new pair style granular
2019-03-15 15:51:08 -04:00
a7a1fd4ee5
remove reference to USER-OMP version of fix wall/gran
2019-03-15 15:50:44 -04:00
b6459b3f74
Merge branch 'master' into gran_mods
2019-03-15 14:30:36 -04:00
8845a1a0ae
whitespace cleanup (remove ctrl-m, trailing whitespace)
2019-03-15 14:20:10 -04:00
3f0f2383b4
fix spelling and record false positives
2019-03-15 14:18:04 -04:00
5608f87c15
bond/react:unfix_deletes_internal_groups
2019-03-13 21:55:17 -06:00
8c50c3d7c8
Commit JT 031319
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- improved gneb functions
- correct name in fix_neb (Weinan)
2019-03-13 17:02:40 -06:00
aca8ce1f53
Merge branch 'master' into hyper
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sync with GH master
2019-03-13 12:19:06 -06:00
2cc35ee777
A few additional enhancements to pair granular and fix wall granular option:
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- NULL option for tangential stiffness, to set it based on shear modulus
- calculation of effective shear moduli from elastic moduli and Poisson's ratio
- updates to doc page example syntax
2019-03-13 00:42:08 -06:00
f6fb8b220d
Commit 2 JT 031219
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- modified examples (gneb and spinmin now distinct)
- started documention for spinmin
2019-03-12 16:59:13 -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
4ee98d18da
Fixed missing reference in pair_granular doc page
2019-03-06 14:15:19 -07:00
b628e3b1b6
Update openkim.org urls in various places
2019-03-06 10:26:03 -06:00
f0ec2e3279
refactoring of global and local hyper, including amended doc pages
2019-03-01 18:47:34 -07:00
