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
b0af54ac37
bond/react:limit reaction occurrences
2019-01-13 00:07:03 -07:00
0cc9a445e8
add parallel dump file info to rerun doc page
2019-01-04 17:09:11 -07:00
c26b2078ee
Merge pull request #1271 from akohlmey/next-patch-release
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Patch release 4 January 2019
2019-01-03 22:28:55 -05:00
7323179de3
rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z
2019-01-03 17:30:16 -05:00
19e12aada5
Patch release 4 January 2019
2019-01-03 13:44:18 -05:00
f96f98241c
replace outdated moltemplate distribution with README explaining how to install the latest version
2019-01-03 00:39:58 -05:00
6d5ab3dac1
Merge branch 'github-rebo-bugfix' of https://github.com/CF17/lammps into test-rebo
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# Conflicts:
# examples/airebo/log.23Jun17.airebo-m.g++.1
# examples/airebo/log.23Jun17.airebo-m.g++.4
# examples/airebo/log.23Jun17.airebo.g++.1
# examples/airebo/log.23Jun17.airebo.g++.4
# examples/airebo/log.27Nov18.airebo-m.g++.1
# examples/airebo/log.27Nov18.airebo-m.g++.4
# examples/airebo/log.27Nov18.airebo.g++.1
# examples/airebo/log.27Nov18.airebo.g++.4
# examples/airebo/log.29Jun18.airebo-m.g++.1
# examples/airebo/log.29Jun18.airebo-m.g++.4
# examples/airebo/log.29Jun18.airebo.g++.1
# examples/airebo/log.29Jun18.airebo.g++.4
2018-12-30 03:44:38 -05:00
37a597cc0f
Merge branch 'master' into collected-post-stable-patches
2018-12-29 14:51:21 -05:00
444dcca433
Merge pull request #1254 from akohlmey/remove-reax-meam
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Remove REAX and MEAM packages
2018-12-29 13:06:07 -05:00
9355e7e5cc
Merge pull request #1243 from athomps/snap-foundtest
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Removed redundant element list from pair_coeff snap syntax
2018-12-29 13:04:47 -05:00
cf3aee06f3
Merge pull request #1239 from jrgissing/bond/react-delete_atoms
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fix bond/react: allow deleting atoms
2018-12-29 13:04:23 -05:00
89ca07c76e
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-29 12:05:30 -05:00
cc1c93a3d9
correct broken formatting and add explicit links to ParmEd and InterMol, a few tweaks
2018-12-28 00:29:40 -05:00
e2d871ac23
update Fedora rpm docu
2018-12-20 09:01:44 -07:00
6ebef96c23
Gentoo is not pre-built
2018-12-20 08:58:32 -07:00
685ed827d7
small formatting changes
2018-12-19 06:46:19 -05:00
5fb8f23cb4
update false positives list for recent manual changes
2018-12-19 02:24:16 -05:00
ba3ee71edf
update the github workflow checklist with a missing requirement
2018-12-19 02:09:31 -05:00
caba050f29
update list of items to check for contributing code to current status
2018-12-19 02:03:27 -05:00
6dcd0ccfc3
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-17 14:15:28 -05:00
90e125a73a
make error message for input parameter type mismatch more specific to show what is incorrect
2018-12-17 14:03:26 -05:00
980f7e3b36
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-16 20:41:02 -05:00
6c0b100a53
Merge branch 'master' into kim-v2-update
2018-12-16 15:56:33 -06:00
