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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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ab1e090e0e
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neighbor list skin is added to custom cutoff automatically
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2023-06-29 21:32:04 -04:00 |
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91e0d0411b
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one more programming style tweak
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2023-05-15 02:04:17 -04:00 |
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d584f2fe50
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follow LAMMMPS' programming style more closely
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2023-05-15 01:58:45 -04:00 |
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17747a3c58
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moved scaling to immediately after compute and removed virial scaling
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2023-05-14 15:07:31 -05:00 |
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a6310f170a
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streamlined scaling implementation
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2023-05-08 18:37:51 -05:00 |
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d8584bb15a
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Hacky first pass at kim scaling
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2023-05-06 16:31:30 -05:00 |
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f4314076ae
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address scoping issues, use constexpr for unit constants, modernize
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2023-03-20 06:18:17 -04:00 |
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b0e7d9702b
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modernize and simplify
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2023-03-20 01:02:22 -04:00 |
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07bb7b3195
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fix up kim unit tests broken by recent changes
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2022-12-09 19:56:45 -05:00 |
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34f44daef5
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some small programming style updates
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2022-12-09 16:56:50 -05:00 |
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6fe8b84c23
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correct updating Makefile.package.setting edits, fix a few broken ones.
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2022-11-30 19:31:00 -05:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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77fb3e8af8
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improve error messages
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2022-09-27 20:55:55 -04:00 |
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90384371c0
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this is redundant, since we set one_coeff and thus * * is required
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2022-09-27 20:55:45 -04:00 |
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6262f3c537
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improve error message
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2022-09-26 10:23:15 -04:00 |
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67f6adebb7
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whitespace fixup with dynamic casts
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2022-09-10 13:26:38 -04:00 |
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c2115c27e8
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regularize a few citation reminders
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2022-08-13 02:10:28 -04:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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d6f7570d57
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avoid redundant use of boolean literals
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2022-04-10 20:47:31 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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120c080fc2
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avoid converting a null pointer to a std::string and correct error check
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2022-03-28 15:07:23 -04:00 |
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9920b22509
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programming style updates
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2022-03-28 15:06:55 -04:00 |
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decdcd0b55
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Revert "programming style updates"
This reverts commit 5242409ebd.
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2022-03-08 06:15:11 -05:00 |
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5242409ebd
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programming style updates
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2022-03-08 05:17:18 -05:00 |
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369b8365bf
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update QEQ, ASPHERE, and KIM packages to use new neighbor list request API
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2022-03-08 05:16:55 -05:00 |
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de4a9f268e
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rename reverse communication calls
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2022-02-21 21:18:28 -05:00 |
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12d708b97c
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Apply override to more classes
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2022-01-21 18:24:06 -05:00 |
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c9776dad6f
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Apply override to Command classes
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2022-01-20 16:35:59 -05:00 |
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a0b25acf35
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refactor loops using (auto var : container) syntax
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2021-10-20 21:58:31 -04:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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88631372ec
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use nullptr instead of NULL or 0 where applicable
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2021-10-12 21:47:02 -04:00 |
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c341c2c6a9
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correct platform call in kim query command
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2021-10-02 20:00:53 -04:00 |
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b1d65f001e
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Merge pull request #2949 from ellio167/kim-print-dirs
Add log file printing of KIM search directories in 'kim init'
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2021-09-26 16:34:15 -04:00 |
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b24079fe33
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cleaner variant of version check, add directory numbering
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2021-09-26 11:24:03 -04:00 |
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18a3728800
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Adjust for kim-api bug
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2021-09-26 08:36:02 -05:00 |
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8769c0ae98
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reformat strings
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2021-09-17 22:58:17 -04:00 |
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029fd56c2a
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Improve style in response to Axel's suggestions
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2021-09-17 20:17:45 -05:00 |
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eb3e8e19c6
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use clang-format on kim_init.cpp
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2021-09-17 20:14:37 -05:00 |
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2709e06d25
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Add log file printing of KIM search directories in 'kim init'
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2021-09-17 19:43:54 -05:00 |
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65d8f7f964
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use cmath header instead of math.h
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2021-09-15 15:25:58 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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