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3ebd194090
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update documentation for unit testing to include timestepping fix tests
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2020-08-09 08:18:35 -04:00 |
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62a501ebda
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store cumulative energy change in restart file
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2020-08-09 01:27:14 -04:00 |
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15db052c80
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Merge branch 'master' into collected-small-changes
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2020-08-05 22:10:10 -04:00 |
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c3075250ee
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Merge pull request #2273 from abhiShandy/pair-tests-aug4
Bunch of units tests for pair-style, angle-style, bond-style
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2020-08-05 22:09:28 -04:00 |
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1a642d36ae
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fix typo in the math of pair style dpd doc
- missing closing backticks for math
- V fixed to v for relative velocity
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2020-08-04 22:50:26 +02:00 |
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f4aede49dc
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Merge branch 'master' into multi-comm-tiled
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2020-08-03 22:37:23 -04:00 |
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6bc65dc14c
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reference typos in doc
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2020-08-03 20:49:02 -04:00 |
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33aa96b1bf
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test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
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2020-08-03 20:07:24 -04:00 |
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6576c4cbf3
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Merge pull request #2260 from akohlmey/collected-small-changes
Collected small changes
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2020-08-03 18:02:17 -04:00 |
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8d406403bb
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fix typo in manual
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2020-08-03 16:07:06 -04:00 |
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80ceff55d5
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failing test for UFM, with cosmetic change in its CPP, and doc correction
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2020-08-03 06:01:59 -04:00 |
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74f50ed1bd
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Merge branch 'master' into collected-small-changes
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2020-07-31 21:51:10 -04:00 |
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1f1263645e
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Document warning about short communication cutoff vs. bond length based estimate
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2020-07-31 11:03:26 -04:00 |
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7d46aa6185
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Merge pull request #2256 from akohlmey/cmake-use-alternate-linker
Use alternate/faster linker if available
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2020-07-29 21:40:17 -04:00 |
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2fa642d95e
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document custom linker choice
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2020-07-29 18:01:17 -04:00 |
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cb98fa00da
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enable CommStyle tiled and load-balancing to work for triclinic
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2020-07-29 14:30:49 -06:00 |
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cf83ce6745
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reset_mol_ids->reset() version
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2020-07-25 00:52:39 -06:00 |
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5528d4d18c
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trim excessive white from images
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2020-07-23 00:36:15 -04:00 |
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f60c13c845
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fix incorrect link
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2020-07-23 00:36:02 -04:00 |
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c21ce0b289
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make horizontally aligned image formatting consistent and display "click on" message only with html output
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2020-07-23 00:35:49 -04:00 |
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b97f2e5b6b
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Update compute_saed.rst
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2020-07-22 16:48:21 -04:00 |
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bf848c0515
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Update compute_xrd.rst
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2020-07-22 16:45:56 -04:00 |
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1123add481
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Update create_atoms.rst
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2020-07-22 16:44:04 -04:00 |
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7f66099732
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Update dump_image.rst
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2020-07-22 16:41:59 -04:00 |
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b664050e28
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Update src/neb.rst
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2020-07-22 16:39:18 -04:00 |
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22a1e452ce
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Update fix_wall_gran_region.rst
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2020-07-22 16:35:45 -04:00 |
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e82367b530
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Update balance.rst and fix_balance.rst
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2020-07-22 16:31:31 -04:00 |
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e6f7a99ae2
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Update Python_examples.rst
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2020-07-22 16:27:04 -04:00 |
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6f58ed1c83
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Merge pull request #2248 from rbberger/docs-include-accel-text
Remove duplicated accelerator text passage in docs
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2020-07-22 14:14:57 -04:00 |
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89c42d081f
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Merge pull request #2247 from rbberger/wsl-docs-update
Update Windows Subsystem for Linux Tutorial
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2020-07-22 13:47:15 -04:00 |
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f9e7b7dd19
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Remove outdated or differently formatted common text blocks
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2020-07-21 17:54:33 -04:00 |
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177a93d22d
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Replace common text block with include
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2020-07-21 17:38:56 -04:00 |
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6acc4bc849
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Update Windows Subsystem for Linux Tutorial
Fixes #1953
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2020-07-21 14:39:08 -04:00 |
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cbdf1d3a64
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consolidate mpi4py link
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2020-07-20 20:59:47 -04:00 |
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845b918501
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probably better reset_mol_id doc version
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2020-07-18 20:59:17 -06:00 |
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edd3fb7108
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reset_mol_ids: documented verbose option
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2020-07-18 20:51:14 -06:00 |
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da91f81d40
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bond/react:doc clarification
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2020-07-18 13:42:47 -06:00 |
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371a5c5b61
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bond/react: reset_mol_ids docs
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2020-07-18 12:44:34 -06:00 |
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211beaee48
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Merge pull request #2230 from evoyiatzis/widom
Implementation of Widom insertions through a new fix widom command
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2020-07-18 11:40:04 -04:00 |
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e98056c0e8
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whitespace fixes
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2020-07-16 19:03:30 -04:00 |
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31cfc99ad9
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add missing empty line
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2020-07-16 18:37:16 -04:00 |
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52715cc804
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Merge branch 'master' into compute-mliap
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2020-07-16 18:35:49 -04:00 |
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209d3ff3ff
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fix typo
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2020-07-16 17:31:46 -04:00 |
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35b030015d
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Merge branch 'master' into write-bonus-data
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2020-07-16 12:15:59 -04:00 |
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25a836b729
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reformat and rephrase text about availability of fix bond/create/angle only keyword
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2020-07-15 21:32:22 -04:00 |
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52b30b11ec
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add fix bond/create/angle to list in Fix command page
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2020-07-15 21:31:22 -04:00 |
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d7ef1b007d
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Merge branch 'master' into mc-fix-bond-create-angle
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2020-07-15 21:21:35 -04:00 |
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29e2c82d71
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fix broken line wrap.
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2020-07-15 21:00:43 -04:00 |
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4dc61f7f2a
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make frenkel book anchors globally unique
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2020-07-15 20:56:50 -04:00 |
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300beb819b
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change from DOS/Windows CR/LF to LF
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2020-07-15 20:54:58 -04:00 |
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