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
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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
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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
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Add Gao-Weber manybody styles
2017-05-18 09:10:03 -06:00
683f3d9d2a
Merge pull request #481 from akohlmey/collected-small-changes
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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
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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
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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
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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
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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
8bddf105bf
Updated version of equations, documentation.
2017-04-28 20:22:22 -05:00
31446e35b9
Cleanup on equations; JPG to be constructed.
2017-04-28 15:31:49 -05:00
9bdc43bb66
Updates to pair/meam/spline documentation.
2017-04-28 15:15:21 -05:00
a0b61d17b5
Updates to documentation: equation.
2017-04-28 15:08:59 -05:00
af74874516
rename references to USER-CG-CMM to USER-CGSDK
2017-04-26 19:27:13 -04:00
8f9cb3590a
correct units for some improper force constants in docs
2017-04-26 15:34:12 -04:00
ddc1e4e86e
detect and refuse to run pair style srp together with fix rigid
2017-04-25 13:27:20 -04:00
396e0b5423
correct broken link in html bond doc overview
2017-04-21 14:02:17 -04:00
4e411364ff
add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay
2017-04-21 14:01:38 -04:00
dfa9815246
update for fix gle docs from michele ceriotti
2017-04-18 17:07:28 -04:00
481927ff16
correct 'thrid' instead of 'third'
2017-04-17 17:49:49 -04:00
dd90c860ee
refactor msi2lmp documentation to emphasize lack of active development
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- put a note into the manual
- reorder contents of the README file
- request for information should be sent to lammps-users
- add list of known missing features
2017-04-17 17:40:21 -04:00
c9bc141335
remove doc text explaining restrictions that are lifted with the changes in this branch
2017-04-14 12:57:35 -04:00
2f32fb7f8b
patch 13Apr17
2017-04-13 11:19:48 -06:00
4da8c1c4e2
patch 11Apr17
2017-04-11 09:00:37 -06:00
49dd9449b8
fix gcmc updates from Aidan, trimming of output for replica commands
2017-04-11 08:35:09 -06:00
06cebb9fb4
Merge pull request #445 from Pakketeretet2/extract_for_bond
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Extract for bond
2017-04-11 08:27:31 -06:00
