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
0d73fe99fd
Update Kokkos docs
2019-03-12 15:34:12 -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
5486896876
Merge pull request #1350 from akohlmey/next-patch-release
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Step version string for next patch release
2019-02-28 17:56:51 -05:00
14e6c126a8
Merge pull request #1314 from charlessievers/OptimizedDynamicalMatrix
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add command to compute the Dynamical Matrix
2019-02-28 17:08:36 -05:00
50fef541c2
add x-ref
2019-02-28 15:50:59 -05:00
1d2eab5e1b
update attribution information in Package details documentation
2019-02-28 15:26:36 -05:00
16946d8c6d
integrate dynamical_matrix command into LAMMPS manual
2019-02-28 14:45:07 -05:00
326a97624e
Merge pull request #1317 from ornladios/adios2-master
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USER-ADIOS package with ADIOS 2.x
2019-02-27 17:24:12 -05:00
b60f0f754c
small tweaks to USER-ADIOS docs
2019-02-27 17:18:08 -05:00
6bf9c06a5a
Step version string for next patch release
2019-02-27 16:19:20 -05:00
9185f28a12
correct compute group/group documentation for use with EAM styles
2019-02-27 16:08:41 -05:00
9178b9446a
remove trailing whitespace
2019-02-26 19:50:50 -05:00
d76569c033
Merge pull request #1320 from eofetis/manual-pdf-support
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Add support for Sphinx+PDF+MathJax
2019-02-22 15:10:13 -05:00
e6df92e65a
Merge pull request #1011 from ellio167/kim-v2-update
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KIM v2 update
2019-02-21 20:06:59 -05:00
e6a7c8b03b
Merge pull request #1335 from donatas-surblys/langevin-tally-zero
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correct fix langevin with tally yes zero yes
2019-02-21 20:06:44 -05:00
3ad268739b
Add dump adios to PDF build. Update example config with better documentation
2019-02-20 17:02:48 -05:00
2de01cef45
Dump atom/adios and dump custom/adios command notifications
2019-02-20 16:21:07 -05:00
1179beb543
Makefile build support for USER-ADIOS and build documentation
2019-02-20 14:42:28 -05:00
4e26ca29f7
Changes to new generalized granular pair styles and fix wall/gran
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-Clean-up of unused variables in code
-Bug fix for single method of pair granular
-Changes to fix wall/gran to fix issues with JKR
-Doc page updates for fix wall/gran and fix wall/gran/region
2019-02-19 16:47:13 -07:00
