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b2809996b8
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fixed trailing whitespaces
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2024-03-25 17:45:06 -04:00 |
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d55f750dc6
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Fixed typos in the UF3 equation
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2024-03-25 15:17:43 -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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923e251540
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Added documentation for ml-uf3
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2024-03-25 12:10:01 -04:00 |
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20cfebd6f8
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Merge branch 'pace-mliap' of github.com:jmgoff/lammps_compute_PACE into pace-mliap
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2024-03-22 16:51:59 -06:00 |
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414d9608f8
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fixed whitespace in docs
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2024-03-22 16:51:27 -06:00 |
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cb1e18256e
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Merge branch 'lammps:develop' into pace-mliap
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2024-03-22 16:35:31 -06:00 |
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36358d5b14
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Merge branch 'lammps:develop' into pace-mliap
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2024-03-21 09:32:33 -06:00 |
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b5d769bbbf
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Revert "Began CGDNA Howto"
This reverts commit c4b96704b27743c4e6b01166ea6d7e7a16480692.
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2024-03-20 16:23:17 +00:00 |
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bc436dad3a
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Added example directory
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2024-03-20 16:23:17 +00:00 |
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eee23b45c9
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Began CGDNA Howto
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2024-03-20 16:23:17 +00:00 |
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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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1bdcf7e42e
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Merge branch 'develop' into general-triclinic
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2024-03-17 15:56:38 -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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af5c8bcd22
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Merge branch 'develop' into pace-mliap
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
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2024-03-12 09:05:46 -04:00 |
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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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b23c586236
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mliap ace docs and example logs
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2024-03-11 13:34:29 -06:00 |
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01d412bdbf
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Merge branch 'develop' into general-triclinic
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2024-03-08 21:32:01 -05:00 |
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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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c869783e72
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warn about building LAMMPS with shared lib support for plugins
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2024-02-24 09:21:20 -05:00 |
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9c7ec8bb6c
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must update docs for code changes
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2024-02-23 21:55:09 -05:00 |
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