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7f68620fa9
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add example with more compact initialization for scatter
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2024-04-12 23:46:35 -04:00 |
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f557dfdebb
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mention typelabel paper
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2024-04-11 23:36:11 -04:00 |
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9d3e9c6146
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whitespace
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2024-04-10 18:03:01 -04:00 |
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dbb23b6006
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Merge branch 'develop' into pedone-potentials
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2024-04-10 18:02:31 -04:00 |
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e180527f08
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fix typo
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2024-04-10 12:35:09 -04:00 |
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06d579eb51
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improve atomfile variable docs
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2024-04-10 06:29:10 -04:00 |
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b4fa1b07e9
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add version tag
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2024-04-09 22:21:34 -04:00 |
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01917cd117
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add example for Ca-O with Pedone
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2024-04-09 22:08:30 -04:00 |
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7ac84e18dd
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remove references to non-existing pedone/coul/long, complete description
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2024-04-09 21:35:45 -04:00 |
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aeec608be6
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partial docs also for future pedone/coul/long implementation
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2024-04-09 09:13:23 -04:00 |
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1b71576b6f
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Update CMake and docs
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2024-04-05 09:09:44 -06:00 |
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c0abefeacb
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update links in manual to jacobi3() docs
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2024-04-02 23:53:25 -04:00 |
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9c85e5a99b
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fix bug in option arg parsing of fix ave/correlate, also update doc page for fix ave/correlate/long
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2024-03-29 14:27:43 -06:00 |
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996f5b9d52
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fix ttm doc formatting fixes
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2024-03-29 02:50:30 -04:00 |
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cd154abe73
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add "Incorrect format in ... section of data file" to Error_details and url
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2024-03-26 23:56:38 -04:00 |
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b01efd96a5
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add missing link and expand docs for Unknown identifier in data file error
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2024-03-26 23:27:44 -04:00 |
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f3391199e7
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correct formatting of tables
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2024-03-25 14:26:39 -04:00 |
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d123cd5440
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fix typo
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2024-03-20 04:57:03 -04:00 |
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505f7b3cb4
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add 'append' keyword for appending to output file
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2024-03-17 15:34:32 -04:00 |
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d97c7fffac
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spelling
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2024-03-17 15:13:13 -04:00 |
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1bbe87d9d2
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add 'append' keyword for appending to output file
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2024-03-17 15:13:04 -04:00 |
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fce15bf66f
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add support for appending to files to fix ave/time
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2024-03-17 01:17:01 -04:00 |
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207a14f351
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Merge pull request #4101 from jtclemm/small-patches
Small patches to multi neighbor and fix deform/pressure
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2024-03-15 01:39:04 -04:00 |
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aa7e2da33d
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Misc small patches
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2024-03-13 15:04:19 -06:00 |
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d0d4cf9ad0
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add DOIs for recent stable releases
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2024-03-11 22:40:21 -04:00 |
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8819275824
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Merge pull request #3989 from evoyiatzis/patch-8
Addition of conical geometry in fix indent
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2024-03-08 12:10:52 -05:00 |
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ba5c1a4ac3
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minor modifications in fix_indent.rst
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2024-03-08 15:35:48 +01:00 |
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bd99c2d661
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Merge pull request #4097 from wmbrownIntel/numa_tune
Changes for processors grid numa style
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2024-03-07 14:19:12 -05:00 |
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8ab2544f5b
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Add option to specify # of numa domains for processors grid numa style, simplify numa mapping with more agressive optimization to reduce comm between numa domains.
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2024-03-07 07:07:16 -08:00 |
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ea52699893
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collapse the two /report styles into a single "report" style
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2024-03-05 19:02:11 -05:00 |
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c6f90b2ae3
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Merge branch 'develop' into collected-small-fixes
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2024-03-05 18:27:20 -05:00 |
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7e8b243891
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make use of ..versionadded/..versionchanged consistent with the rest of LAMMPS
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2024-03-05 18:26:41 -05:00 |
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0dc6e156c1
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add balance styles shift/report and rcb/report for reporting imbalances only
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2024-03-05 18:24:38 -05:00 |
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1949953c0c
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Clarifying more variables, enabling offset option with integration style
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2024-03-04 23:38:55 -05:00 |
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3f91ee142b
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Merge branch 'develop' into electrode
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2024-03-04 09:31:07 -05:00 |
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8e6ce1d0b9
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Remove nonneut examples
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2024-03-04 08:52:05 +01:00 |
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d33519e882
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correct and clarify
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2024-03-03 16:47:44 -05:00 |
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60e5124ac2
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compute composition/atom doesn't seem to be compatible with multi neighbor lists
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2024-03-03 12:51:48 -05:00 |
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372260ec77
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error out in compute ave/sphere/atom and efield/wolf/atom with multi-cutoff neighborlists
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2024-03-03 12:46:20 -05:00 |
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2809428fe2
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make computes rdf and adf error out multi cutoff neighbor lists if needed
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2024-03-03 12:27:39 -05:00 |
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e51e2733cb
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add note for porting code containing the removed Atoms::count_words() functions
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2024-03-03 07:47:14 -05:00 |
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0096c06def
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Merge branch 'develop' into collected-small-changes
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2024-02-26 20:02:29 -05:00 |
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4d89741d8c
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Merge pull request #4091 from jtclemm/BPM
Small fixes to GRANULAR/BPM packages
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2024-02-26 20:01:57 -05:00 |
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4e77556610
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minor changes to source and doc files
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2024-02-26 15:59:03 -07:00 |
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3d55fc4ec2
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Merge branch 'develop' into collected-small-changes
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2024-02-26 17:14:18 -05:00 |
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73ae3200d0
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incorporating feedback
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2024-02-26 12:09:19 -07:00 |
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35db949e77
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Merge pull request #4069 from vladgl/fix_wall_flow
New fix implementing flow boundary conditions
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2024-02-26 12:46:20 -05:00 |
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8501c3de6c
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Merge pull request #4087 from akohlmey/add-rebomos-pair-style
Add rebomos pair style with examples and unit test
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2024-02-26 11:38:10 -05:00 |
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5aae41a08c
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remove obsolete comment
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2024-02-26 06:50:36 -05:00 |
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01d9f78e69
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correct citation
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2024-02-24 14:34:40 -05:00 |
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