a0b7bf0f5c
reformat fix wall/gran/region docs
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this should make it easier to recognize that these walls can be
moving/rotating/growing/shrinking due to using time dependent
equal style variables in the region definition
2019-02-12 08:07:28 -05:00
b29d526632
Merge pull request #1323 from akohlmey/next-patch-release
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Patch release 8 February 2019
2019-02-08 21:43:39 +01:00
77c24f1b79
Merge branch 'master' into next-patch-release
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# Conflicts:
# .github/PULL_REQUEST_TEMPLATE.md
2019-02-08 15:34:40 -05:00
b4765683da
restore generic pull request template (for now)
2019-02-08 15:27:16 -05:00
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
f04d97e66e
Merge pull request #1312 from stanmoore1/kk_update
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Update Kokkos library to v2.8.00
2019-02-08 21:07:23 +01:00
b871b4e13d
Merge pull request #1321 from akohlmey/collected-small-fixes
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Collected small fixes for the next patch release
2019-02-08 17:19:01 +01:00
8b449e569b
Merge pull request #1318 from akohlmey/github-template-update
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New GitHub PR templates
2019-02-08 17:18:30 +01:00
be6c2d781b
Merge pull request #1322 from akohlmey/add-code-of-conduct
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Add a code of conduct to lammps github project
2019-02-08 17:18:05 +01:00
a35f407dfc
Patch release 8 February 2019
2019-02-08 17:15:22 +01:00
82355342bf
improve wording about avoiding namespace imports in headers
2019-02-08 17:08:15 +01:00
773476634b
Update Kokkos library in LAMMPS to v2.8.00
2019-02-08 08:50:26 -07:00
1b4ed9cb8d
revert region optimization to create_atoms
2019-02-08 16:24:48 +01:00
997727d26c
add a code of conduct to github project
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complete the "github open source best practices" setup by adapting a
code of conduct for any public communications about LAMMPS on github.
2019-02-08 14:21:37 +01:00
a71159578e
fix typo
2019-02-08 02:29:03 -05:00
ae85ca18fc
provide multiple and more specific pull request templates
2019-02-07 15:53:46 +01:00
4d192e541e
update github contribution guidelines text
2019-02-07 14:58:52 +01:00
8da5289638
add readme file adapted from https://github.com/pmla/polyhedral-template-matching/blob/master/README.md to USER-PTM package
2019-02-07 14:40:52 +01:00
ad8aeb8b00
using POSIX compatible version of strdup() (i.e. _strdup()) on windows
2019-02-07 14:11:02 +01:00
f80c577b3c
Merge pull request #1316 from akohlmey/python-portable-header
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Rename python.h to lmppython.h
2019-02-07 14:05:49 +01:00
510641c065
Merge pull request #1319 from lammps/akohlmey-new-issue-templates
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Update issue templates to have a different template for bug reports and feature requests.
2019-02-07 14:02:10 +01:00
019e534f80
some small tweaks, fixes for typos, and url corrections for the manual
2019-02-07 01:16:48 -05:00
ebcbc5bdbd
fix some formatting and spelling/grammar errors in bug report template
2019-02-06 17:32:44 -05:00
c9a7513dc6
remove outdated generic issue template
2019-02-06 17:26:59 -05:00
17cd92a3f2
Update issue templates
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Take advantage of the fact, that GitHub now allows to have separate issue templates for bug reports and feature requests
2019-02-06 17:15:52 -05:00
0c4e76ce84
bugfix for fix qeq/reax to make it usable without pair reax/c
2019-02-05 11:55:02 +01:00
7e1f760b72
rename python.h to lmppython.h and correspondingly python.cpp to lmppython.cpp
2019-02-04 14:24:53 -05:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
64834e4a3d
Update Kokkos library
2019-02-01 12:45:54 -07:00
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
2b5073fb90
Merge pull request #1311 from akohlmey/correct-delete-callback
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Correct calls to atom->delete_callback()
2019-02-01 17:25:25 +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
bc2eeaf22a
remove extraneous atom->delete_callback()
2019-01-31 19:10:14 -05:00
5c927d484e
add missing atom->delete_callback()
2019-01-31 19:09:59 -05:00
8ee1fefe19
add pointer to README and Manual to help.
2019-01-31 18:46:43 -05:00
763dda64af
update lib/gpu/README to current state
2019-01-31 18:45:17 -05:00
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
f28ab59695
output bounding box info for regions, if present
2019-01-31 18:12:56 -05:00
2e60e461a0
must convert regions bounding box to lattice coordinates before checking to reduce lattice creation range
2019-01-31 18:12:37 -05:00
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
cdb07f9f06
Merge pull request #1310 from akohlmey/reaxc-with-qeq-shielded
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Support using fix qeq/shielded with pair style reax/c
2019-01-31 22:57:31 +01:00
0cce3387bb
Merge pull request #1285 from Adrian-Diaz/4D-grow-memory
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Added 4D memory grow routine
2019-01-31 17:32:45 +01:00
a93d8dda3c
add example input and logfiles for using fix qeq/shielded with pair style reax/c
2019-01-31 14:14:29 +01:00
327ca344ff
make fix qeq/shielded fully compatible with pair style reax/c as a replacement for fix qeq/reax
2019-01-31 13:49:05 +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
ae6fb92478
whitespace cleanup
2019-01-31 12:02:43 +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
8338969af5
bugfix for create_atoms region optimization
2019-01-31 11:46:03 +01:00
ef5c327f74
Merge branch 'master' into collected-small-changes
2019-01-31 11:45:15 +01:00
