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95285f9365
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-04-26 23:52:59 +02:00 |
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b0cd6b3ef7
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improve docs also for related functions
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2021-04-24 22:08:28 -04:00 |
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8e5e995188
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add docs for new utility function
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2021-04-24 21:32:29 -04:00 |
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8ea5b8c41b
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add false positives for recently added docs
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2021-04-23 11:22:50 -04:00 |
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7e2d40c5fa
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Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
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2021-04-21 16:00:01 -04:00 |
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56be6d8ec2
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-04-20 23:20:14 +02:00 |
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9bc353e5bd
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Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
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2021-04-12 18:49:03 -04:00 |
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e95cbf618b
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Merge branch 'master' into charge_regulation2
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2021-04-12 09:55:15 -04:00 |
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0496626533
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Merge branch 'master' into feature/user-pace
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2021-04-07 16:26:26 -04:00 |
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feda2dc08d
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Updated doc page and spelling
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2021-04-07 14:07:58 -06:00 |
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17355f967a
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address spelling and manual processing issues
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2021-04-03 11:11:18 -04:00 |
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e613da98d6
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Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
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2021-04-02 15:08:44 -04:00 |
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7b9dfb296d
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Renamed pair style, user package: nnp => hdnnp
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2021-04-01 00:35:17 +02:00 |
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6dfd475175
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-03-31 23:24:11 +02:00 |
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06ee5be2ce
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Fix unhandled cases in docs LAMMPS syntax highlighting
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2021-03-19 18:51:21 -04:00 |
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024a9600b1
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update docs
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2021-03-18 18:20:32 -04:00 |
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18be1a2ea3
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fix typo in false positives
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2021-03-14 05:45:25 -04:00 |
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19c042c8d2
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add false positives
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2021-03-11 21:19:49 -05:00 |
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7ae2da0ace
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Merge pull request #2641 from pedroantoniosantosf/mliap_nn
Add support for neural network (nn) models to MLIAP package to compute energies and forces without going through Python
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2021-03-08 20:27:01 -05:00 |
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eee08204c3
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Merge branch 'master' into mliap_nn
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2021-03-05 22:14:57 -05:00 |
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0b9675807b
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Fix typos
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2021-03-04 17:48:44 -05:00 |
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cf04303daf
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Final edits to doc page
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2021-03-03 14:27:04 -07:00 |
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e75f1f2f82
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Merge branch 'master' into relres-update
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2021-02-28 23:20:44 -05:00 |
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cac03a85f3
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add false positive
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2021-02-28 23:19:45 -05:00 |
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dfae88cf13
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address spelling issues
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2021-02-25 23:11:41 -05:00 |
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992d0e13aa
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-02-24 23:37:21 +01:00 |
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e713a931d3
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Added lots of docs, finished CMake script
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2021-02-24 17:57:24 +01:00 |
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293ebad98f
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Merge branch 'master' into kim_commands
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2021-02-23 09:34:32 -05:00 |
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31a878bcd6
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remove the old kim commands
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2021-02-23 06:12:10 -06:00 |
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53fdaa5741
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Merge pull request #2603 from wmbrownIntel/gpu-updateFeb2021
GPU Package Update February 2021
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2021-02-17 19:04:55 -05:00 |
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f367e66aba
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documentation corrections, spelling fixes and updates
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2021-02-17 18:47:35 -05:00 |
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e7a37877c0
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apply changes to doc Makefile to limit the impact of SNL network config changes
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2021-02-16 11:40:25 -05:00 |
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f705d49d45
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reformat docs, correct spelling errors, and update false positives list
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2021-02-11 09:17:14 -05:00 |
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006de01c05
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update false positives list for spell checking
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2021-02-10 12:20:04 -05:00 |
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418135667f
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address a whole bunch of spelling issues that suddenly popped up.
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2021-02-09 12:38:46 -05:00 |
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cd31c99c68
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update false positives for added docs
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2021-02-09 08:27:19 -05:00 |
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960713be3b
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make recent change to fix ti/spring docs use mathjax
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2021-02-05 17:01:28 -05:00 |
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26ea789834
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add some documentation for the programmer guide and doxygen decorations
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2021-01-31 23:06:59 -05:00 |
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740ae28e3d
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address spelling issues
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2021-01-28 03:59:30 -05:00 |
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5e6411ea5a
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Merge pull request #2514 from oywg11/tersoff-shift
Add a shift option to most Tersoff potential variants
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2021-01-15 13:59:56 -05:00 |
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a3d21297bc
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complete integration of eam/he pair style into manual
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2021-01-13 22:37:29 -05:00 |
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cbca189490
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Merge branch 'master' into tersoff-shift
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2021-01-11 04:30:11 -05:00 |
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47b4504917
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Merge branch 'master' into tersoff-shift
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2021-01-04 22:19:59 -05:00 |
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dd69e26cb5
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Added clarification of threebody typing of R
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2021-01-02 19:51:23 -07:00 |
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0eb3c01eb8
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Added false positives
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2021-01-02 17:14:17 -07:00 |
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0e83e792d0
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add false positives
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2020-12-29 20:31:00 -05:00 |
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427d037747
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Merge pull request #2508 from athomps/mliappy3
Add support for Python based models to the MLIAP package
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2020-12-29 09:59:43 -05:00 |
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800ff0f1c2
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update spelling/grammar and false positives
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2020-12-20 15:02:59 -05:00 |
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4c7f71bef3
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Merge branch 'master' into mliappy3
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2020-12-18 09:16:44 -05:00 |
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7a9d6611d9
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add false positive
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2020-12-15 20:36:27 -05:00 |
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