|
|
af5f19604c
|
remove no longer correct sentence from set command docs
|
2017-05-31 23:36:39 -04:00 |
|
|
|
3025996407
|
Merge branch 'master' into add-user-reaxc-omp
This updates the code base with several required updates from master
|
2017-05-31 12:53:38 -04:00 |
|
|
|
85e917ae52
|
integrate compute cnp/atom contributed by Paulo Branicio (USC)
|
2017-05-31 00:38:44 -04:00 |
|
|
|
167a51538e
|
support atom style variables for assigning image flags with the set command
|
2017-05-30 21:52:32 -04:00 |
|
|
|
cace3e3530
|
Added missing :pre to doc/src/fix_adapt.txt
|
2017-05-30 16:08:32 -04:00 |
|
|
|
286d4f2743
|
Merge pull request #506 from lammps/snap
SNAP changes by Aidan
|
2017-05-30 13:32:00 -06:00 |
|
|
|
22fdb1fc14
|
SNAP changes by Aidan
|
2017-05-30 10:21:07 -06:00 |
|
|
|
de446ace2f
|
Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
|
2017-05-26 18:44:29 -04:00 |
|
|
|
2055110e05
|
Fixed typo in dox.
|
2017-05-26 17:38:21 -04:00 |
|
|
|
c3f6e27bfe
|
augment documentation for newly added multi-threaded reax/c styles
|
2017-05-25 17:00:19 -04:00 |
|
|
|
ead05f81c0
|
Merge branch 'pair_morse_soft-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
|
2017-05-24 13:56:54 -04:00 |
|
|
|
4f9e7cbd16
|
Cleaned up docs for pair_mores, a missing :pre ruined formatting.
|
2017-05-24 13:36:14 -04:00 |
|
|
|
97d3c843c4
|
small documentation fixes to fix typos and formatting issues
|
2017-05-21 11:13:47 -04:00 |
|
|
|
aca16745e4
|
restore spelling fix and semantic fix from upstream
|
2017-05-19 12:17:19 -04:00 |
|
|
|
a5110d81ea
|
correct a bunch of documentation formatting issues for updated neb and fix neb commands
|
2017-05-19 12:13:23 -04:00 |
|
|
|
2225fce94e
|
patch 19May17
|
2017-05-19 07:35:36 -06:00 |
|
|
|
8751850eca
|
a few formatting fixes for pair style python
|
2017-05-18 18:34:03 -04:00 |
|
|
|
d4ee03c778
|
changed doc links
|
2017-05-18 21:31:39 +02:00 |
|
|
|
b28ecd44c2
|
update docs before patch release
|
2017-05-18 13:14:47 -06:00 |
|
|
|
6ac9b7a1b0
|
Merge pull request #482 from akohlmey/add-pair-python
Add python pair style for implementing simple pairwise additive potentials in python
|
2017-05-18 11:15:58 -06:00 |
|
|
|
5d38cbbce9
|
Merge pull request #487 from akohlmey/pair_edip_multi_element
Import multi-element compatible pair style edip as edip/multi
|
2017-05-18 09:13:30 -06:00 |
|
|
|
aa09f45b7e
|
Merge pull request #484 from akohlmey/add-gao-weber-styles
Add Gao-Weber manybody styles
|
2017-05-18 09:10:03 -06:00 |
|
|
|
683f3d9d2a
|
Merge pull request #481 from akohlmey/collected-small-changes
Collected small updates and bugfixes
|
2017-05-18 09:01:04 -06:00 |
|
|
|
8daba01151
|
some small formating change but does not work anymore
|
2017-05-18 16:48:20 +02:00 |
|
|
|
640edbc1d4
|
added several features to the NEB
|
2017-05-18 11:08:08 +02:00 |
|
|
|
24654ad28f
|
small formatting corrections to pair python style
|
2017-05-18 00:38:36 -04:00 |
|
|
|
9725708b90
|
update pair style python docs
|
2017-05-18 00:29:02 -04:00 |
|
|
|
1d48f287f0
|
add partial documentation for pair style python
|
2017-05-17 19:05:18 -04:00 |
|
|
|
278b9f7fba
|
move pair gw and gw/zbl to USER-MISC package
|
2017-05-17 14:59:46 -04:00 |
|
|
|
085f3afdfb
|
fix typo in docs
|
2017-05-17 09:59:30 -04:00 |
|
|
|
597f95fb1b
|
fix duplicate reference
|
2017-05-16 17:53:12 -04:00 |
|
|
|
7f9a331c73
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
|
|
35e92733e9
|
import multi-element compatible pair style edip as edip/multi
|
2017-05-16 17:40:59 -04:00 |
|
|
|
66084ad1f4
|
fix typo in rerun docs. closes #486
|
2017-05-16 04:27:15 -04:00 |
|
|
|
c5db3ff401
|
two small doc corrections from Andrew Jewett for pair style gauss and dihedral style spherical
|
2017-05-12 23:27:58 -04:00 |
|
|
|
b6a70ec6fd
|
fixup docs after last change
|
2017-05-12 00:34:47 -04:00 |
|
|
|
c4d0f07093
|
Allow fix python to only execute every N steps
|
2017-05-12 00:29:58 -04:00 |
|
|
|
93f6033061
|
Add documentation about fix python
|
2017-05-11 23:50:40 -04:00 |
|
|
|
27a6371f9b
|
implement a python source command as suggested in issue #454
|
2017-05-11 19:18:09 -04:00 |
|
|
|
998eb44e83
|
Merge pull request #473 from akohlmey/compress-for-reaxc-fixes
compressed output via gzip for some ReaxFF fixes
|
2017-05-11 09:25:18 -06:00 |
|
|
|
96d1de8575
|
Merge pull request #471 from akohlmey/fix-4may2017-issues
Fix a bunch of remaining issues in the 4 may 2017 release
|
2017-05-11 09:24:35 -06:00 |
|
|
|
deff6ffaac
|
Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent
Meam spline multicomponent
|
2017-05-11 09:22:25 -06:00 |
|
|
|
abeb1e096a
|
add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species
|
2017-05-10 11:19:18 -04:00 |
|
|
|
29ae8d4ca3
|
correct broken links and references in documentation
|
2017-05-09 17:15:07 -04:00 |
|
|
|
08ec55743e
|
neighbor list bugfix to prevent cycle in copy lists
|
2017-05-09 08:55:18 -06:00 |
|
|
|
f8af7edf92
|
Merge remote-tracking branch 'upstream/master' into python_refactoring
|
2017-05-06 16:00:22 -04:00 |
|
|
|
51c6d50268
|
patch 4May17
|
2017-05-04 11:46:58 -06:00 |
|
|
|
dcc5472cba
|
Merge pull request #452 from akohlmey/small-fixes-and-updates
Small fixes and updates
|
2017-05-04 11:23:23 -06:00 |
|
|
|
addd87c0f7
|
new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
|
|
|
7f49ee8fd7
|
print warning about minimization energy with fix box/relax
|
2017-05-03 15:33:22 -04:00 |
|
