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b29d526632
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Merge pull request #1323 from akohlmey/next-patch-release
Patch release 8 February 2019
patch_8Feb2019
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2019-02-08 21:43:39 +01:00 |
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77c24f1b79
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Merge branch 'master' into next-patch-release
# Conflicts:
# .github/PULL_REQUEST_TEMPLATE.md
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2019-02-08 15:34:40 -05:00 |
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b4765683da
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restore generic pull request template (for now)
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2019-02-08 15:27:16 -05:00 |
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f286155dd3
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Merge pull request #1306 from stanmoore1/kk_angle_cosine
Add Kokkos version of angle/cosine
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2019-02-08 21:07:36 +01:00 |
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f04d97e66e
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Merge pull request #1312 from stanmoore1/kk_update
Update Kokkos library to v2.8.00
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2019-02-08 21:07:23 +01:00 |
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b871b4e13d
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Merge pull request #1321 from akohlmey/collected-small-fixes
Collected small fixes for the next patch release
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2019-02-08 17:19:01 +01:00 |
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8b449e569b
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Merge pull request #1318 from akohlmey/github-template-update
New GitHub PR templates
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2019-02-08 17:18:30 +01:00 |
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be6c2d781b
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Merge pull request #1322 from akohlmey/add-code-of-conduct
Add a code of conduct to lammps github project
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2019-02-08 17:18:05 +01:00 |
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a35f407dfc
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Patch release 8 February 2019
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2019-02-08 17:15:22 +01:00 |
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82355342bf
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improve wording about avoiding namespace imports in headers
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2019-02-08 17:08:15 +01:00 |
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773476634b
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Update Kokkos library in LAMMPS to v2.8.00
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2019-02-08 08:50:26 -07:00 |
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1b4ed9cb8d
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revert region optimization to create_atoms
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2019-02-08 16:24:48 +01:00 |
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997727d26c
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add a code of conduct to github project
complete the "github open source best practices" setup by adapting a
code of conduct for any public communications about LAMMPS on github.
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2019-02-08 14:21:37 +01:00 |
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a71159578e
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fix typo
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2019-02-08 02:29:03 -05:00 |
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ae85ca18fc
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provide multiple and more specific pull request templates
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2019-02-07 15:53:46 +01:00 |
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4d192e541e
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update github contribution guidelines text
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2019-02-07 14:58:52 +01:00 |
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8da5289638
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add readme file adapted from https://github.com/pmla/polyhedral-template-matching/blob/master/README.md to USER-PTM package
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2019-02-07 14:40:52 +01:00 |
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ad8aeb8b00
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using POSIX compatible version of strdup() (i.e. _strdup()) on windows
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2019-02-07 14:11:02 +01:00 |
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f80c577b3c
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Merge pull request #1316 from akohlmey/python-portable-header
Rename python.h to lmppython.h
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2019-02-07 14:05:49 +01:00 |
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510641c065
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Merge pull request #1319 from lammps/akohlmey-new-issue-templates
Update issue templates to have a different template for bug reports and feature requests.
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2019-02-07 14:02:10 +01:00 |
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019e534f80
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some small tweaks, fixes for typos, and url corrections for the manual
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2019-02-07 01:16:48 -05:00 |
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ebcbc5bdbd
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fix some formatting and spelling/grammar errors in bug report template
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2019-02-06 17:32:44 -05:00 |
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c9a7513dc6
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remove outdated generic issue template
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2019-02-06 17:26:59 -05:00 |
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17cd92a3f2
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Update issue templates
Take advantage of the fact, that GitHub now allows to have separate issue templates for bug reports and feature requests
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2019-02-06 17:15:52 -05:00 |
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0c4e76ce84
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bugfix for fix qeq/reax to make it usable without pair reax/c
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2019-02-05 11:55:02 +01:00 |
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7e1f760b72
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rename python.h to lmppython.h and correspondingly python.cpp to lmppython.cpp
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2019-02-04 14:24:53 -05:00 |
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b417cfda9b
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removed dead code and reduce compiler warnings about unused parameters
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2019-02-03 11:36:41 -05:00 |
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64834e4a3d
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Update Kokkos library
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2019-02-01 12:45:54 -07:00 |
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d6eaf73db1
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Merge pull request #1307 from akohlmey/next-patch-release
Patch release 1 February 2019
patch_1Feb2019
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2019-02-01 20:22:18 +01:00 |
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2b5073fb90
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Merge pull request #1311 from akohlmey/correct-delete-callback
Correct calls to atom->delete_callback()
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2019-02-01 17:25:25 +01:00 |
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f2a977884c
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Merge pull request #1290 from akohlmey/python-script-portability
Use argparse module in for Install.py scripts in lib and further portability and consistency enhancements. Some lint removal as well.
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2019-02-01 01:18:40 +01:00 |
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bc2eeaf22a
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remove extraneous atom->delete_callback()
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2019-01-31 19:10:14 -05:00 |
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5c927d484e
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add missing atom->delete_callback()
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2019-01-31 19:09:59 -05:00 |
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8ee1fefe19
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add pointer to README and Manual to help.
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2019-01-31 18:46:43 -05:00 |
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763dda64af
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update lib/gpu/README to current state
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2019-01-31 18:45:17 -05:00 |
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a9f8b17cbd
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Merge pull request #1282 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the next patch release
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2019-02-01 00:24:15 +01:00 |
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f28ab59695
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output bounding box info for regions, if present
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2019-01-31 18:12:56 -05:00 |
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2e60e461a0
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must convert regions bounding box to lattice coordinates before checking to reduce lattice creation range
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2019-01-31 18:12:37 -05:00 |
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d6a918f4fd
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Merge pull request #1270 from akohlmey/get-moltemplate-from-web
Replace bundled moltemplate distribution with installation instructions only
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2019-01-31 22:58:31 +01:00 |
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7606529f03
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Merge pull request #1302 from akohlmey/combined-user-fep-soft-updates
Combined USER-FEP related updates
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2019-01-31 22:57:51 +01:00 |
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cdb07f9f06
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Merge pull request #1310 from akohlmey/reaxc-with-qeq-shielded
Support using fix qeq/shielded with pair style reax/c
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2019-01-31 22:57:31 +01:00 |
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0cce3387bb
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Merge pull request #1285 from Adrian-Diaz/4D-grow-memory
Added 4D memory grow routine
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2019-01-31 17:32:45 +01:00 |
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a93d8dda3c
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add example input and logfiles for using fix qeq/shielded with pair style reax/c
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2019-01-31 14:14:29 +01:00 |
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327ca344ff
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make fix qeq/shielded fully compatible with pair style reax/c as a replacement for fix qeq/reax
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2019-01-31 13:49:05 +01:00 |
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c5256624e8
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document coul/streitz and reax/c keywords to extract qeq parameters from pair styles
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2019-01-31 13:48:06 +01:00 |
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ae6fb92478
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whitespace cleanup
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2019-01-31 12:02:43 +01:00 |
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14ab0ec459
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remove references to pre-installed packages as this was changed with the 22 August 2018 version
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2019-01-31 12:02:22 +01:00 |
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8338969af5
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bugfix for create_atoms region optimization
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2019-01-31 11:46:03 +01:00 |
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ef5c327f74
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Merge branch 'master' into collected-small-changes
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2019-01-31 11:45:15 +01:00 |
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06d5c1d62f
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Merge pull request #1279 from akohlmey/create-atoms-bounding-box
Optimize performance of create_atoms for large boxes and small regions
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2019-01-31 09:39:55 +01:00 |
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