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
ff795e761a
Added generalized granular option to fix wall/gran and fix wall/gran/region; some minor bug fixes for pair granular
2019-02-19 14:31:27 -07:00
d8e8a0d2d2
More changes to pair granular:
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- tangential damping now set by scaling the normal damping
- some fixes to the twisting coefficients for the Marshall twist model
- progress (completion?) of doc page
2019-02-18 09:58:34 -07:00
bae2e61fa0
documentation bugfix
2019-02-15 19:40:37 -05:00
8a28046b4c
typo in PTM docs
2019-02-15 18:52:40 -05:00
35d2de298f
added license information to all files
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updated documentation
added example file
added graphene structure
2019-02-15 18:49:23 -05:00
c193a9aee9
Updated Errors_messages.txt & false_positives.txt
2019-02-14 19:28:18 -06:00
e95cf4e917
Some various doc updates for kim-api support
2019-02-14 13:38:28 -06:00
333154633b
Merge branch 'master' into kim-v2-update
2019-02-14 13:29:50 -06:00
d0ed6f2bf5
reflect changes to fix langevin also in the manual
2019-02-14 05:45:52 -05:00
d08979737c
bond/react:partially_revert_bonding_atom_choice
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choose closest eligible bonding partner, unless directly bonded (in which case we assume a bond-breaking reaction)
2019-02-13 22:56:56 -07:00
88b62fa6bd
add old style PDF build to "make old" target.
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this will create the old style Manual.pdf in the old folder and put Developer.pdf there, too.
2019-02-13 12:43:35 -05:00
