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69b32aef13
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2022-08-27 10:12:58 -04:00 |
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52264cdaa7
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Merge pull request #3411 from hammondkd/doc-fixes
Documentation edits (round 2)
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2022-08-27 10:12:20 -04:00 |
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08673525b9
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Merge pull request #3408 from crackboy88/improve-errors
Improve errors
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2022-08-27 07:37:31 -04:00 |
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b31b20f336
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print error if extract_setting() uses unknown setting string.
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2022-08-27 07:02:19 -04:00 |
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25ca4317be
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re-introduce factor 1/2 where the average local dielectric constant is used
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2022-08-26 05:24:19 -04:00 |
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4069aa3658
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Fixed non-existent dump_custom attribute in dump_modify thresh example
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2022-08-26 00:13:31 -05:00 |
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04224e2b53
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use sys.path.insert() instead of sys.path.append() to avoid conflicts with other python packages
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2022-08-25 07:25:13 -04:00 |
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60b00bfa8f
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update unit tests for variable command
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2022-08-25 05:48:07 -04:00 |
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9205f99373
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Merge branch 'lammps:develop' into improve-errors
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2022-08-25 11:09:52 +08:00 |
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59837dd44b
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improve error messages in run and variable.cpp
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2022-08-25 11:09:21 +08:00 |
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50f7b98821
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one more revert for KOKKOS
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2022-08-23 14:30:22 -04:00 |
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bd5cd70eeb
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2022-08-23 14:27:29 -04:00 |
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4edf29103e
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whitespace
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2022-08-23 14:27:03 -04:00 |
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61d50988b1
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Merge branch 'HhhhZhou/develop' into collected-small-changes
# Conflicts:
# doc/src/pair_meam.rst
# src/MEAM/meam_funcs.cpp
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2022-08-23 14:24:09 -04:00 |
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54d617b257
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silence compiler warnings
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2022-08-23 14:21:00 -04:00 |
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6a3726425d
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update MEAM to state of latest PR #3412
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2022-08-23 14:20:45 -04:00 |
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084761c665
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Merge branch 'develop' into collected-small-changes
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2022-08-23 11:53:30 -04:00 |
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50591fae82
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Added simple cubic
Added simple cubic as the reference structure
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2022-08-23 10:52:41 -05:00 |
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be198d7ba4
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Merge branch 'lammps:develop' into doc-fixes
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2022-08-23 10:15:11 -05:00 |
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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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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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