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96dece97ef
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Merge branch 'master' into mpi_tests
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2020-11-19 11:22:58 -05:00 |
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d1af1aa12d
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Merge pull request #2424 from jtclemm/restart_neigh_hist
Patching neighbor history restarts
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2020-11-19 11:13:50 -05:00 |
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96db39f08b
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Merge pull request #2450 from jrgissing/molecule-custom_id_order
molecule: use user-provided IDs in molecule files
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2020-11-18 17:52:16 -05:00 |
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61ccccf908
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Merge pull request #2462 from akohlmey/replicate-template-fixes
Preserve molecule templates when using "replicate"
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2020-11-18 16:48:06 -05:00 |
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7507773ead
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Merge pull request #2441 from stanmoore1/kk_fix_shake
Add Kokkos support for fix shake and forward comm on Device for fixes
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2020-11-18 11:17:57 -05:00 |
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1002383a45
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Merge branch 'master' into replicate-template-fixes
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2020-11-18 10:37:57 -05:00 |
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64910d636c
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Merge pull request #2464 from iafoss/patch-1
bug fix in pair_mesont_tpm.cpp
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2020-11-16 16:48:18 -05:00 |
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145d688fa4
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clairfy docs
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2020-11-16 15:09:17 -05:00 |
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d287e11610
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clarify docs
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2020-11-14 16:04:39 -05:00 |
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8b9f2e0539
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molecule: add atom ID completeness check
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2020-11-14 15:51:26 -05:00 |
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8e3a556461
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Merge pull request #109 from lammps/master
rebase
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2020-11-14 13:52:16 -05:00 |
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4b136d9eeb
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Merge pull request #2482 from stanmoore1/kk_fft_bugfix
Fix memory bug in Kokkos KISS FFT
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2020-11-13 17:45:59 -05:00 |
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4a8c458634
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Update comment
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2020-11-13 17:21:41 -05:00 |
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bfd71f330b
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Simplify other AtomStyles tests
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2020-11-13 17:03:52 -05:00 |
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5d79ba12d7
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Use macro for better message during failure
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2020-11-13 15:14:40 -05:00 |
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a48f463faf
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Fix memory bug in Kokkos KISS FFT
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2020-11-13 13:12:50 -07:00 |
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504e675023
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Splitting up long test methods
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2020-11-13 13:21:49 -05:00 |
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76e3639db2
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Set molindex_flag and molatom_flag
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2020-11-13 13:11:50 -05:00 |
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e6c844d719
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Simplify template and template_charge test cases
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2020-11-13 13:11:16 -05:00 |
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00557e00a4
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Add AtomState struct and ASSERT helpers
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2020-11-13 12:35:25 -05:00 |
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a2d7def363
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Merge pull request #2410 from julient31/exchange-biquadratic
Adding a new pair style in SPIN package
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2020-11-12 15:58:16 -05:00 |
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47a5d47582
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Merge branch 'exchange-biquadratic' of https://github.com/julient31/lammps into exchange-biquadratic
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2020-11-12 09:45:03 -07:00 |
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497f0dd593
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Removing binder and m2,m4 declarations from compute/spin
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2020-11-12 09:43:38 -07:00 |
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aadc668771
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Fix pair_spin_exchange doc page title
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2020-11-12 11:04:11 -05:00 |
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c407d547cd
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Whitespace
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2020-11-12 10:54:20 -05:00 |
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e7ccbd0ce6
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Replace NULL with nullptr
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2020-11-12 10:44:04 -05:00 |
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3991f704e1
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Fix whitespace errors
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2020-11-12 10:42:09 -05:00 |
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724a9978c8
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Merge branch 'master' into exchange-biquadratic
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2020-11-12 10:39:10 -05:00 |
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b3181a1fa3
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Merge pull request #2476 from akohlmey/download-libyaml
Add CMake code to download and compile a suitable version of libyaml in case it is not found locally
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2020-11-12 10:25:39 -05:00 |
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edb09b8bdd
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Merge pull request #2474 from GenieTim/master
Fix typos in documentation
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2020-11-12 10:25:22 -05:00 |
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39bc47a4da
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Fix inconsistent formatting in Error & Warning doc
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2020-11-12 13:35:04 +01:00 |
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d09eb491f8
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molecule: add iatom < 0 check
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2020-11-11 13:00:10 -05:00 |
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c0a101192e
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Merge pull request #2471 from akohlmey/collected-small-changes
Collected small fixes and updates
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2020-11-11 11:20:32 -05:00 |
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2f21ef6322
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Merge pull request #2466 from rbberger/bugfixes
Collection of bugfixes
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2020-11-11 11:19:52 -05:00 |
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552dc7fba9
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whitespace
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2020-11-10 18:05:06 -05:00 |
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2c6ccf0d0f
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update docs for download and compilation of yaml sources
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2020-11-10 18:04:00 -05:00 |
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2f3cbfed13
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add CMake code to download and compile libyaml if not found locally
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2020-11-10 17:58:26 -05:00 |
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d1ce362fca
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Remove wrong word 'regoin' from false positive list
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2020-11-10 17:15:42 +01:00 |
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2c65df1bc2
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Revert typo fix in python due to auto-formatter changing too much
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2020-11-10 16:29:02 +01:00 |
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22e6d8283e
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Merge branch 'master' of github.com:GenieTim/lammps
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2020-11-10 14:22:52 +01:00 |
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4be2a99977
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Fix casing of the word GitHub
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2020-11-10 14:20:52 +01:00 |
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ad56e0ca9f
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Fix casing of the word
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2020-11-10 14:16:12 +01:00 |
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eae9fea026
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Consistently use instead of
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2020-11-10 14:04:49 +01:00 |
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5aae2cb44d
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Fix typo in Howto Walls
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2020-11-10 14:03:16 +01:00 |
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2acb0aaedd
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fix typo that has propagated to multiple pair style doc files
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2020-11-10 05:00:56 -05:00 |
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df672fe7d4
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Correcting indentation issue in pair_spin_dmi.cpp
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2020-11-09 12:42:12 -07:00 |
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d55eeefc32
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Undo change in library interface breaking compatibility
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2020-11-09 13:47:27 -05:00 |
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6056171b45
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Merge pull request #2451 from akohlmey/update-fmtlib
Update bundled fmtlib to version 7.1.2
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2020-11-09 13:10:37 -05:00 |
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773a31a628
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improve read_dump and rerun documentation. mention that native binary dumps are not supported
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2020-11-06 17:30:08 -05:00 |
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c68829f17d
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update granular pair style example to comply to tighter history fix requirements
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2020-11-06 17:17:18 -05:00 |
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