f286155dd3
Merge pull request #1306 from stanmoore1/kk_angle_cosine
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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
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Patch release 1 February 2019
2019-02-01 20:22:18 +01:00
f2a977884c
Merge pull request #1290 from akohlmey/python-script-portability
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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
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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
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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
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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
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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
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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
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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
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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
012d5a55bf
Consolidated doc for soft pair styles
2019-01-23 12:02:23 +00:00
fbee21f495
distance constraint: clarify use case in docs
2019-01-22 23:22:51 -07:00
7a10ac2019
bond/react:reaction_constraints
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introduce a distance constraint between any two reaction-site atoms, in order for reaction to occur
2019-01-22 23:14:58 -07:00
a5248090fa
Update fix_adapt.txt
2019-01-22 19:46:35 +01:00
ade023861d
Update compute_fep.txt
2019-01-22 19:42:52 +01:00
24bede9fff
Update fix_adapt_fep.txt
2019-01-22 19:37:58 +01:00
dd3dbfaee2
restore aphabetical order of improper styles
2019-01-22 12:26:51 -05:00
ca31147d00
Fix USER-YAFF documentation issues
2019-01-22 14:58:38 +01:00
7ec6e4b262
Merge branch 'master' into user-cgdna
2019-01-22 13:06:42 +00:00
874e4fdafc
Corrected required input angular velocity -> momentum
2019-01-22 13:05:15 +00:00
794bf5084c
Implementation and documentation for USER-YAFF package
2019-01-22 10:09:10 +01:00
e789715d92
Update fix_adapt_fep.txt
2019-01-21 23:12:34 +01:00
cab3380b55
Updating the list of potentials in fix_adapt_fep.txt
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There are several potentials that contain the method extract() but they are not included in the "fix adapt" and "fix adapt/fep"
A small update of the list is attempted here. The same potentials might be added to the documentation of fix_adapt if it is useful.
2019-01-20 13:35:40 +01:00
23ce00f366
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2019-01-16 21:49:14 -06:00
6e4e244e65
More doc page additions
2019-01-15 13:31:16 -07:00
ef803be08e
Moved all model option syntax for pair granular to pair coeff command;
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added global cutoff option for pair style granular command; initial
write-up of documentation.
2019-01-15 10:18:46 -07:00
1e1f754d0c
make gpu library Install.py use argparse module
2019-01-14 12:52:21 -05:00
