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
b9d844ca8d
Merge pull request #444 from ohenrich/user-cgdna
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Minor updates to docu of USER-CGDNA package
2017-04-11 08:25:09 -06:00
84ea8a79e6
correct link for dispersion parameter how-to and reformat
2017-04-10 20:43:24 -04:00
497a5d88af
Merge branch 'master' into user-cgdna
2017-04-04 20:03:57 +01:00
8993daaa31
Minor update to docu
2017-04-04 19:54:22 +01:00
28e86917a0
Made fix adapt work with bond_harmonic.
2017-04-04 12:35:26 -04:00
ae56b9ad89
patch 31Mar17 for stable release
2017-03-30 10:07:27 -06:00
c733204a70
Updated lammps.book and install script
2017-03-29 08:28:03 +01:00
4b9d0a9566
sync with SVN
2017-03-28 13:26:12 -06:00
0637f23875
patch 28Mar17
2017-03-28 13:12:23 -06:00
9f6e126a2f
Merge pull request #437 from ohenrich/user-cgdna
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User cgdna
2017-03-28 12:52:26 -06:00
80e5111dca
Merge pull request #434 from akohlmey/imgflags-in-library
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improved image flag handling in library interface
2017-03-28 12:50:13 -06:00
1d8f0c762d
Merge branch 'master' into fixes-for-stable
2017-03-28 14:37:30 -04:00
111d350a22
fix gcmc units change for chemical potential
2017-03-28 12:34:46 -06:00
66a6375405
Resolved merge conflict
2017-03-28 18:58:31 +01:00
