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48732ff376
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Merge pull request #3410 from wmbrownIntel/icx_gather_opt
Changes to Intel Package files for better LLVM-based compiler support
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2022-08-23 11:00:44 -04:00 |
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8e0071ecc4
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update
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2022-08-23 09:43:03 -04:00 |
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f5870fdd7d
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fix syntax error
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2022-08-23 09:41:56 -04:00 |
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47930a3a3c
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enable native windows and macos unittest github actions also for pull requests
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2022-08-23 05:43:35 -04:00 |
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60e5ce0dc2
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refer to temperature more consistently with :math:T instead of *T*
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2022-08-23 05:26:07 -04:00 |
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0b22ad5189
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correctly use versionchanged directive
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2022-08-23 01:04:49 -04:00 |
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54c928dbce
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improve typesetting, record version change, a few more k_B changes
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2022-08-23 00:51:36 -04:00 |
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007f7fbbfb
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Fixed kT vs k_B T in a couple of places and associated description
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2022-08-22 23:46:49 -05:00 |
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0f3c4357c8
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Merge branch 'doc-fixes' of github.com:hammondkd/lammps into doc-fixes
Changed some "dof" to "DOF" as per Axel's preference
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2022-08-22 23:29:34 -05:00 |
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5d04e88e28
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Changed a couple of "dof" to "DOF" as per Axel's preference
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2022-08-22 23:29:24 -05:00 |
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c135eb0a5f
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fix spelling
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2022-08-23 00:05:17 -04:00 |
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18f10a6a0d
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use k_B for Boltzmann constant
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2022-08-23 00:04:25 -04:00 |
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0eefdf8a87
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Fixed typos; evidently make html is more forgiving than make pdf
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2022-08-22 22:03:18 -05:00 |
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88f7e4c7b6
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After running "make fix-whitespace"
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2022-08-22 21:41:12 -05:00 |
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4d8dc03a3f
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Edits to fix.rst and additions for missing styles
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2022-08-22 21:13:59 -05:00 |
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bc3a673e89
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Merge branch 'lammps:develop' into doc-fixes
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2022-08-22 20:01:28 -05:00 |
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f7cf5b6751
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Using NEIGHMASK bitmasking for array indices to improve vector gather performance with nextgen compiler.
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2022-08-22 15:57:02 -07:00 |
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ab7ae9324f
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update version of MDI library
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2022-08-22 13:15:48 -06:00 |
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4b842d52e6
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Merge branch 'develop' into type-labels
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2022-08-22 10:45:48 -04:00 |
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57346a359a
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permit asterisk in type labels
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2022-08-22 10:39:05 -04:00 |
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842266cbe5
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avoid referencing a suggested type label format
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2022-08-22 10:35:09 -04:00 |
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b96398e5e9
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Minor edits to doc pages for echo group if
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2022-08-21 22:19:30 -05:00 |
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a0ffcd9811
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can use member variables directly
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2022-08-21 23:13:25 -04:00 |
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55feca9c0f
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add minimal tests for dump class
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2022-08-21 14:02:39 -04:00 |
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f18b96e517
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handle dump files with extra UNITS or TIME info
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2022-08-21 14:01:41 -04:00 |
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1f37087156
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python 2/3 portability changes for log class from Pizza.py
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2022-08-20 22:03:30 -04:00 |
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057dff375c
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add unit test for Pizza.py modules
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2022-08-20 21:59:24 -04:00 |
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eebe07ae73
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replace with symbolic links
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2022-08-20 20:12:49 -04:00 |
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d0a37644b7
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remove redundant copies of pizza.py files
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2022-08-20 20:12:31 -04:00 |
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8d6b62d936
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sync
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2022-08-20 11:14:45 -04:00 |
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d3101898f1
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more python 2/3 porting for using compile()/eval()/exec()
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2022-08-20 11:06:02 -04:00 |
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bd5dea0d07
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allow selecting a list of timesteps. avoid redundant code
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2022-08-20 10:26:48 -04:00 |
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77ad9719b3
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apply suggestions from @rbberger for more readable code
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2022-08-20 10:25:35 -04:00 |
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e74b87d9af
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Merge branch 'lammps:develop' into improve-errors
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2022-08-20 19:20:55 +08:00 |
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2259947d52
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Edits to documentation files for consistency and math
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2022-08-19 23:49:44 -05:00 |
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1d25379ad0
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synchronize code between DIELECTRIC package and OPENMP versions
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2022-08-19 22:30:49 -04:00 |
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de0b7bf737
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Tweaks to documentation to make it more consistent and machine-readable
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2022-08-19 19:25:15 -05:00 |
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d02ff1d70e
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correct force and energy tally for using full neighbor lists and newton on/off
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2022-08-19 16:33:55 -04:00 |
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aa1762b815
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bugfix for writing data files with atom style dielectric
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2022-08-19 16:18:13 -04:00 |
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de3730d5f3
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delete log files for now
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2022-08-19 13:18:07 -06:00 |
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20f7e8dcb5
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add change suggested by @hammondkd
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2022-08-19 11:26:45 -04:00 |
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cec1a197a4
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Merge branch 'develop' into collected-small-changes
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2022-08-19 11:24:58 -04:00 |
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66bbfa67dc
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Merge pull request #3406 from Vikingat-RAGE/develop
Fix vim syntax to handle switching color themes
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2022-08-19 11:24:21 -04:00 |
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7a35ec3527
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Merge branch 'lammps:develop' into fortran-tinkering
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2022-08-19 08:52:30 -05:00 |
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3ec06dd2c2
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improve some error messages in comm, domain and region.cpp
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2022-08-19 21:06:00 +08:00 |
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d32b303a82
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Finished edits on computes (whew!); builds with no errors or warnings
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2022-08-19 00:25:06 -05:00 |
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9b039ce00c
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port MEAM changes for sc lattice to KOKKOS
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2022-08-18 23:05:11 -04:00 |
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9e0e0ce310
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add support for Bi to MEAM and sc lattices. taken from unfinished PR #3261
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2022-08-18 22:50:03 -04:00 |
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1e5ca42dfa
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small update
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2022-08-18 21:48:09 -04:00 |
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d03f0a6716
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More cosmetic edits to documentation
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2022-08-18 19:25:06 -05:00 |
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