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dfc47a5501
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Fixing various errors, reorganizing status variable
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2023-05-12 23:33:02 -06:00 |
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35418afd6b
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Rename CRK -> RK
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2023-05-11 14:19:32 -06:00 |
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4a419b2f00
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Adding rheo property/atom compute odc
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2023-05-01 14:47:52 -06:00 |
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c81c4cefc0
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Fixing pair label
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2023-05-01 14:32:14 -06:00 |
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0b1d393d78
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Adding arguments to doc page
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2023-05-01 14:05:47 -06:00 |
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0cd22dd0d2
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Creating doc pages and links for rheo
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2023-04-27 21:04:04 -06:00 |
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0cd3bd190f
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Fixing various memory issues
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2023-04-26 12:14:40 -06:00 |
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be568d257d
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Adding output option for reorganized peratom values
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2023-04-25 16:29:29 -06:00 |
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7fc916a1d4
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Prototyping example and accessory commands
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2023-04-25 13:38:37 -06:00 |
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7cfe45c00b
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Adding gsl version, cmake options, readme files
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2023-04-25 10:29:39 -06:00 |
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47b8cdc94f
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Fixing compilation errors
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2023-04-24 19:46:27 -06:00 |
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35d1178cfa
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Adding cmake options, fixing a few misc errors
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2023-04-20 20:15:17 -06:00 |
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de0e4bb170
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Rho sum compute
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2023-04-20 16:17:04 -06:00 |
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a4d971df52
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Updating surface compute
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2023-04-20 14:45:35 -06:00 |
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d85ce6a392
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Initial surface compute
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2023-04-19 17:15:00 -06:00 |
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5980fdf9fd
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Revising interface compute
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2023-04-15 21:15:37 -06:00 |
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986cfd6641
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Cleaning up peratom variables, adding peratom variables to fix rheo/interface
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2023-04-12 17:05:05 -06:00 |
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79ddd1445f
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Misc clean ups, initial draft of interface
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2023-03-26 17:04:56 -06:00 |
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bfb3457b9e
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Adding memory usage
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2023-03-26 14:44:01 -06:00 |
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98050c96cc
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Cleaning up kernel compute
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2023-03-26 14:30:34 -06:00 |
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908c32788c
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Cleaning up fix rheo, initial sketch of kernel compute
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2023-03-25 20:17:17 -06:00 |
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d98435f435
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removing merge conflict
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2023-03-24 22:02:30 -06:00 |
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29edfc45d7
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Adding heat/temperature checks/zeroing to thermal fix
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2023-03-24 21:59:17 -06:00 |
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b46b786a3f
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Merge pull request #3 from EricPalermo/rheo
Rheo
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2023-03-24 15:43:30 -06:00 |
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0a3a4c527d
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generalized density in dT calculation
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2023-03-24 16:43:34 -04:00 |
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bf669d526b
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test adding file
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2023-03-24 15:38:26 -04:00 |
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3964321e0b
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Merge branch 'develop' into rheo
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2023-03-22 21:53:36 -06:00 |
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beb6f934f8
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adding new peratom storage to pressure
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2023-03-22 21:44:11 -06:00 |
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b550d72e38
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Fixing merge conflicts
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2023-03-22 21:35:54 -06:00 |
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886c642e01
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Cleaning up pairstyle
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2023-03-22 21:15:54 -06:00 |
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bad1188c52
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Reorganizing peratom arrays
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2023-03-22 17:27:51 -06:00 |
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fce1f8e0af
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Merge pull request #3687 from akohlmey/collected-small-changes
Collected small changes and fixes
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2023-03-17 03:56:35 -04:00 |
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21c71bf35d
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mention project boards. remove reference to milestones.
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2023-03-16 23:36:13 -04:00 |
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4a7ab34568
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lift restriction to Sphinx version < 6.0, enable jquery extension
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2023-03-16 23:07:18 -04:00 |
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a232915e71
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update example logs for changed granular pair style
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2023-03-16 22:37:58 -04:00 |
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073f21c0d9
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spelling
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2023-03-16 22:35:25 -04:00 |
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c9b383d3f0
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grammar
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2023-03-16 22:18:35 -04:00 |
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e7b7d5804e
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Update URL for EPEL
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2023-03-16 21:23:02 -04:00 |
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08153b7b4d
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trim list of known plumed source packages.
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2023-03-16 21:01:32 -04:00 |
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4e221803b0
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Merge branch 'develop' into collected-small-changes
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2023-03-16 20:53:04 -04:00 |
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7c0fdbe2d9
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Merge pull request #3512 from jtclemm/gran-temp
Refactoring the GRANULAR package
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2023-03-16 20:47:40 -04:00 |
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ea20c934ea
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print warning when using fix efield with a TIP4P pair style
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2023-03-16 18:33:23 -04:00 |
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bf94448843
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simplify and avoid segfault without pair style
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2023-03-16 18:32:54 -04:00 |
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5e6004961d
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Merge branch 'develop' into collected-small-changes
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2023-03-16 18:00:36 -04:00 |
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224b1369a1
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Merge pull request #3685 from akohlmey/more-tip4p-support
Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
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2023-03-16 17:59:58 -04:00 |
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f1539d0ef5
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silence compiler warnings
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2023-03-16 17:53:58 -04:00 |
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b41d826e0a
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Merge branch 'develop' into gran-temp
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2023-03-16 17:44:36 -04:00 |
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d3a23817f1
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disable purging old wheel files
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2023-03-16 17:25:11 -04:00 |
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4a66389bf1
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purge build folder from within install.py script
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2023-03-16 16:39:34 -04:00 |
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feb1b9e029
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fix whitespace
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2023-03-16 12:55:30 -04:00 |
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