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c50a8d83d1
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New release date 19 November 2024
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2024-11-19 02:13:54 -05:00 |
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2ac0d065a7
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step version strings for next release
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2024-11-19 02:05:49 -05:00 |
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f7b87a21c7
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apply special treatment for fix colvars/kk as suggested by @stanmoore1
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2024-11-16 11:14:18 -05:00 |
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b3f88da939
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document KOKKOS restriction of fix spring/self
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2024-11-15 15:22:19 -05:00 |
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4dd1448dd0
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support providing spring constant as equal or atom style variable
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2024-11-15 14:12:19 -05:00 |
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0f9f80ad45
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update for fix colvars/kk
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2024-11-14 15:32:07 -05:00 |
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e3e502f095
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add note that pair_coeff settings used for fix adapt must be set explicitly
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2024-11-14 15:26:46 -05:00 |
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9c290a0fac
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Minor edits to workflow doc
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2024-11-14 08:22:13 -05:00 |
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c06cab2696
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extra space
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2024-11-14 08:22:13 -05:00 |
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d8bd1ae3b8
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adding hyperlink
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2024-11-14 08:22:13 -05:00 |
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a06275d18e
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Pesky backticks
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2024-11-14 08:22:13 -05:00 |
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5928389c5e
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Merge pull request #4312 from navlalli/qtpie
Add fix qtpie/reaxff
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2024-11-13 07:42:07 -05:00 |
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2d2bc029a4
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Merge branch 'develop' into qtpie
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2024-11-12 11:37:40 -08:00 |
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5673375d21
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Add more related commands to docs
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2024-11-12 12:32:37 -07:00 |
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f84b9f350e
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Merge branch 'develop' of https://github.com/lammps/lammps into alphataubio-kokkos-fixes
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2024-11-08 14:53:37 -08:00 |
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a445545ffb
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Merge pull request #4371 from evoyiatzis/patch-2
fix typo in compute_temp_partial.rst
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2024-11-08 09:30:26 -07:00 |
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e84c45c6e7
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Fix whitespace
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2024-11-08 10:38:49 +00:00 |
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95899b53b8
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Add fix qtpie/reaxff to pair_style reaxff docs
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2024-11-08 10:26:47 +00:00 |
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572be91b76
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fix typo in compute_temp_partial.rst
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2024-11-06 11:27:45 +01:00 |
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95509c4ef0
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Referencing other methods compatible with BPM package
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2024-11-05 15:47:59 -07:00 |
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c057b36c15
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-30 21:50:36 -04:00 |
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6d634dc646
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Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
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2024-10-29 21:31:03 -04:00 |
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a5ab8be0a2
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Clarify restriction on periodic cell dimensions
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2024-10-25 14:16:25 +01:00 |
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56ac4aeedf
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-24 12:12:12 -04:00 |
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73c049459b
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spelling
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2024-10-23 21:10:34 -04:00 |
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b682f52d11
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fix typos
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2024-10-23 21:07:39 -04:00 |
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b810053d02
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document restrictions for bonded interactions
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2024-10-23 12:35:50 -04:00 |
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81f71716ba
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Merge branch 'develop' into BPM
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2024-10-22 20:59:12 -04:00 |
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1ec7ba547d
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-22 14:47:19 -04:00 |
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ec5dfcd0fb
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remove note that was obsoleted 5 years ago
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2024-10-22 09:50:30 -04:00 |
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1678e2af28
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adjusting howto text to reflect additional BPM/spring options.
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2024-10-21 21:21:15 -06:00 |
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4779cc44ef
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documenting bpm anharmonic
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2024-10-21 15:07:24 -06:00 |
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baf1733b9a
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documenting bpm multibody
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2024-10-21 15:07:06 -06:00 |
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34ab2f862a
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small tweaks
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2024-10-18 22:09:25 -04:00 |
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f128abe002
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improve OPLS description
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2024-10-18 21:51:43 -04:00 |
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2074b0c400
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add check to allow only valid swaps between hybrid sub-styles and document it
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2024-10-18 21:49:55 -04:00 |
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86e18b8a24
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fix copy-n-modify issue
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2024-10-16 10:23:16 -04:00 |
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2ce934fdb9
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added section on OPLS-AA taken from https://matsci.org/t/issues-with-opls-force-field-for-ethylene-glycol-simulation/58296/11
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2024-10-16 10:05:26 -04:00 |
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9abfe38120
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Merge branch 'develop' into collected-small-changes
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2024-10-14 22:54:22 -04:00 |
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59bbc5bcc1
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Merge pull request #4356 from evoyiatzis/patch-1
add extract() function to few angle and bond styles
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2024-10-14 19:25:29 -04:00 |
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db3416c4b3
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Apply corrections from code review by @simongravelle
Co-authored-by: Simon Gravelle <simon.gravelle@live.fr>
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2024-10-14 08:19:53 -04:00 |
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8156e56617
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be more paranoid about Sphinx updates breaking extensions we use
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2024-10-13 19:31:40 -04:00 |
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c15c4d23bb
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fix spelling/syntax issues
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2024-10-13 19:30:30 -04:00 |
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b3b9d032fa
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cleanup, clarification and re-wrap of doc file sections
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2024-10-13 18:56:41 -04:00 |
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03d10e6bbc
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correct documentation to add "inputs local" to compute reduce commands on local data
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2024-10-13 18:56:07 -04:00 |
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f8a8783044
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-12 20:09:59 -04:00 |
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f1a79e7df5
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Update fix_adapt.rst
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2024-10-11 19:55:28 +02:00 |
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df50691488
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small correction and clarifications
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2024-10-11 06:54:46 -04:00 |
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6d30557ec2
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Update partially fix_adapt.rst
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2024-10-11 11:08:32 +02:00 |
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5c82063376
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Merge branch 'electrode' of github.com:robeme/lammps into collected-small-changes
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2024-10-10 17:32:28 -04:00 |
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