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2ad9355140
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Merge pull request #1383 from akohlmey/final-changes-for-patch
Several small changes and tweaks for patch release
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2019-03-27 17:00:56 -04:00 |
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e63d2cee87
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Merge pull request #1375 from akohlmey/install-python-for-cmake
Refactor python module installer and add install-python target to CMake
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2019-03-27 16:47:25 -04:00 |
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03e86c4d17
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update python module installation instructions
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2019-03-26 22:49:21 -04:00 |
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9d22f82ba7
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update PyLAMMPS documentation/tutorial for CMake and the refactored installation process
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2019-03-26 22:42:09 -04:00 |
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5a6a8a9e57
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Merge pull request #1379 from lammps/hyper
Hyper-dynamics update
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2019-03-26 16:30:37 -04:00 |
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4e74ccbbbe
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restore building developer pdf before manual pdf
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2019-03-25 21:18:17 -04:00 |
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19d25203ad
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add min_style spin to commands overview
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2019-03-25 21:05:13 -04:00 |
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36b645d238
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add min_spin page to toclist
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2019-03-25 20:46:42 -04:00 |
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81a4d293db
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Commit4 JT 032519
- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
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2019-03-25 15:43:58 -06:00 |
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7a00997a14
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Commit2 JT 032519
- added equations for documentation
- updated examples (not calling fix nve/spin)
- replaced error message by warning in all pair/spin
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2019-03-25 14:03:28 -06:00 |
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a726362888
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Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
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2019-03-25 12:57:42 -06:00 |
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2f20581b29
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Merge pull request #1374 from akohlmey/collected-small-fixes
Collected small changes for the next patch release
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2019-03-25 13:15:45 -04:00 |
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5554deda39
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fixed 2 spelling errors
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2019-03-25 10:07:07 -06:00 |
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881cc71a44
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Merge branch 'master' into hyper
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2019-03-25 09:21:09 -06:00 |
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3464464ea9
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Update kim example query and log files
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2019-03-22 20:20:47 -05:00 |
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22be3bd37e
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fix spelling error and add false positives for spellchecking
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2019-03-22 17:33:16 -04:00 |
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f69173f410
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partial documentation update
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2019-03-22 17:25:03 -04:00 |
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52f9e4a960
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allow overriding the location of the molfile plugin headers with CMake
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2019-03-22 14:11:02 -04:00 |
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2dbc2c5916
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fix spelling issues in documentation and some minor clarification
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2019-03-19 16:04:53 -04:00 |
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1c3e3ce548
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add kim_query command to commands list
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2019-03-19 15:57:19 -04:00 |
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38c373a0e4
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integrate new kim_query command into the documentation environment
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2019-03-19 15:42:35 -04:00 |
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5608f87c15
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bond/react:unfix_deletes_internal_groups
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2019-03-13 21:55:17 -06:00 |
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aca8ce1f53
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Merge branch 'master' into hyper
sync with GH master
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2019-03-13 12:19:06 -06:00 |
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b628e3b1b6
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Update openkim.org urls in various places
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2019-03-06 10:26:03 -06:00 |
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f0ec2e3279
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refactoring of global and local hyper, including amended doc pages
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2019-03-01 18:47:34 -07:00 |
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5486896876
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Merge pull request #1350 from akohlmey/next-patch-release
Step version string for next patch release
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2019-02-28 17:56:51 -05:00 |
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14e6c126a8
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Merge pull request #1314 from charlessievers/OptimizedDynamicalMatrix
add command to compute the Dynamical Matrix
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2019-02-28 17:08:36 -05:00 |
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50fef541c2
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add x-ref
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2019-02-28 15:50:59 -05:00 |
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5fd033c0a2
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add one more false positive required by recent changes
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2019-02-28 15:49:48 -05:00 |
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1d2eab5e1b
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update attribution information in Package details documentation
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2019-02-28 15:26:36 -05:00 |
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16946d8c6d
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integrate dynamical_matrix command into LAMMPS manual
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2019-02-28 14:45:07 -05:00 |
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326a97624e
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Merge pull request #1317 from ornladios/adios2-master
USER-ADIOS package with ADIOS 2.x
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2019-02-27 17:24:12 -05:00 |
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b60f0f754c
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small tweaks to USER-ADIOS docs
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2019-02-27 17:18:08 -05:00 |
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6bf9c06a5a
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Step version string for next patch release
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2019-02-27 16:19:20 -05:00 |
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9185f28a12
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correct compute group/group documentation for use with EAM styles
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2019-02-27 16:08:41 -05:00 |
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9bec93faa9
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update spell-checking false positives for USER-ADIOS package
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2019-02-26 19:51:18 -05:00 |
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9178b9446a
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remove trailing whitespace
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2019-02-26 19:50:50 -05:00 |
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d76569c033
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Merge pull request #1320 from eofetis/manual-pdf-support
Add support for Sphinx+PDF+MathJax
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2019-02-22 15:10:13 -05:00 |
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e6df92e65a
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Merge pull request #1011 from ellio167/kim-v2-update
KIM v2 update
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2019-02-21 20:06:59 -05:00 |
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e6a7c8b03b
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Merge pull request #1335 from donatas-surblys/langevin-tally-zero
correct fix langevin with tally yes zero yes
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2019-02-21 20:06:44 -05:00 |
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3ad268739b
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Add dump adios to PDF build. Update example config with better documentation
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2019-02-20 17:02:48 -05:00 |
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2de01cef45
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Dump atom/adios and dump custom/adios command notifications
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2019-02-20 16:21:07 -05:00 |
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1179beb543
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Makefile build support for USER-ADIOS and build documentation
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2019-02-20 14:42:28 -05:00 |
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bae2e61fa0
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documentation bugfix
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2019-02-15 19:40:37 -05:00 |
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8a28046b4c
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typo in PTM docs
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2019-02-15 18:52:40 -05:00 |
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35d2de298f
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added license information to all files
updated documentation
added example file
added graphene structure
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2019-02-15 18:49:23 -05:00 |
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c193a9aee9
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Updated Errors_messages.txt & false_positives.txt
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2019-02-14 19:28:18 -06:00 |
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e95cf4e917
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Some various doc updates for kim-api support
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2019-02-14 13:38:28 -06:00 |
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333154633b
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Merge branch 'master' into kim-v2-update
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2019-02-14 13:29:50 -06:00 |
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d0ed6f2bf5
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reflect changes to fix langevin also in the manual
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2019-02-14 05:45:52 -05:00 |
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