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:
...
- 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
...
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
...
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.
...
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
eb8a6512e2
rename and document script to automatically convert 'default(none)' to 'default(shared)' OpenMP pragmas
2019-02-12 09:44:19 -05:00
6ff1557af8
More progress on doc page
2019-02-12 07:42:26 -07:00
a0b7bf0f5c
reformat fix wall/gran/region docs
...
this should make it easier to recognize that these walls can be
moving/rotating/growing/shrinking due to using time dependent
equal style variables in the region definition
2019-02-12 08:07:28 -05:00
b7413226e0
Several changes to new consolidated granular code:
...
- Normal contact models take Young's modulus and Poisson's ratio (instead of Young's and shear modulus)
- Mixing of Young's moduli corrected
- Changes to cutoffs corrected for JKR pulloff distance
- Renamed 'mindlin' to 'linear_history'
- Progress on doc page
2019-02-11 21:37:06 -07:00
b29d526632
Merge pull request #1323 from akohlmey/next-patch-release
...
Patch release 8 February 2019
2019-02-08 21:43:39 +01:00
77c24f1b79
Merge branch 'master' into next-patch-release
...
# Conflicts:
# .github/PULL_REQUEST_TEMPLATE.md
2019-02-08 15:34:40 -05:00
f286155dd3
Merge pull request #1306 from stanmoore1/kk_angle_cosine
...
Add Kokkos version of angle/cosine
2019-02-08 21:07:36 +01:00
a35f407dfc
Patch release 8 February 2019
2019-02-08 17:15:22 +01:00
622eb47902
some small tweaks, fixes for typos, and url corrections for the manual
2019-02-07 01:19:29 -05:00
019e534f80
some small tweaks, fixes for typos, and url corrections for the manual
2019-02-07 01:16:48 -05:00
4fe6528ed4
Add support for Sphinx+PDF+MathJax
2019-02-06 17:14:50 -08:00
d677335b23
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2019-02-03 12:45:44 -06:00
d6eaf73db1
Merge pull request #1307 from akohlmey/next-patch-release
...
Patch release 1 February 2019
2019-02-01 20:22:18 +01:00
f2a977884c
Merge pull request #1290 from akohlmey/python-script-portability
...
Use argparse module in for Install.py scripts in lib and further portability and consistency enhancements. Some lint removal as well.
2019-02-01 01:18:40 +01:00
a9f8b17cbd
Merge pull request #1282 from akohlmey/collected-small-changes
...
Collected small changes and bugfixes for the next patch release
2019-02-01 00:24:15 +01:00
d6a918f4fd
Merge pull request #1270 from akohlmey/get-moltemplate-from-web
...
Replace bundled moltemplate distribution with installation instructions only
2019-01-31 22:58:31 +01:00
7606529f03
Merge pull request #1302 from akohlmey/combined-user-fep-soft-updates
...
Combined USER-FEP related updates
2019-01-31 22:57:51 +01:00
c5256624e8
document coul/streitz and reax/c keywords to extract qeq parameters from pair styles
2019-01-31 13:48:06 +01:00
14ab0ec459
remove references to pre-installed packages as this was changed with the 22 August 2018 version
2019-01-31 12:02:22 +01:00
ef5c327f74
Merge branch 'master' into collected-small-changes
2019-01-31 11:45:15 +01:00
ee5f39d895
Patch release 1 February 2019
2019-01-30 16:16:32 -05:00
bad6c8aa35
Patch release 30 January 2019
2019-01-29 13:37:50 +01:00
54b9a1335c
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
21dac57c7c
fix typo
2019-01-26 05:16:38 -05:00
6c72d15c31
Merge branch 'core_soft' of https://github.com/agiliopadua/lammps into combined-user-fep-soft-updates
...
Resolved Conflicts:
doc/src/Commands_pair.txt
doc/src/pair_fep_soft.txt
doc/src/pair_style.txt
doc/src/pairs.txt
2019-01-25 16:25:19 +01:00
f2aab01e96
Approximation in tail correction better explained
2019-01-25 15:04:52 +01:00
272ff1dbdf
link class2 soft-core pair styles from pair style overviews
2019-01-24 11:20:12 -05:00
06c8a67247
Updated broken links to pair_fep_soft
2019-01-24 17:10:39 +01:00
e83600eee3
make naming of extract-able parameters consistent across similar pair styles (a/b/cparm -> a/b/c)
2019-01-24 10:54:17 -05:00
5c09732dc3
file spelling
2019-01-24 10:49:47 -05:00
82905dc62d
correctly spell "through"
2019-01-24 10:29:51 -05:00
89a3f60289
replace references to pair_lj_soft with pair_fep_soft in docs
2019-01-24 15:49:46 +01:00
a6ecd3d08c
Merge branch 'core_soft' of https://github.com/agiliopadua/lammps into combined-user-fep-soft-updates
...
Resolved Conflicts:
doc/src/compute_fep.txt
doc/src/fix_adapt_fep.txt
2019-01-24 15:41:41 +01:00
1be589fb33
Merge branch 'patch-2' of https://github.com/evoyiatzis/lammps into combined-user-fep-soft-updates
2019-01-24 15:35:52 +01:00
4464f62c8f
another permission fix
2019-01-24 08:20:24 -05:00
985913bce2
Merge pull request #1297 from stevenvdb/add-user-yaff
...
Add USER-YAFF package for MOF simulations with QuickFF
2019-01-24 11:05:55 +01:00
f88c5e147a
Merge pull request #1298 from jrgissing/bond/react-distance_constraints
...
Bond/react: add reaction constraints support
2019-01-24 10:55:22 +01:00
48542f1832
permission update for some bundled PDF files
2019-01-24 04:51:55 -05:00
0bfb34389b
Consolidated doc of soft-core pair styles
2019-01-23 20:56:54 +01:00
