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5bddddcd7a
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revert modernization change (for now)
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2021-09-16 22:57:14 -04:00 |
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5bbec337e5
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provide more comprehensive suggestions for GPU neighbor list errors
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2021-09-16 10:23:44 -04:00 |
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e82a2a3280
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enforce initialization and thus silence compiler warnings
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2021-09-16 07:58:21 -04:00 |
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75f2eb604d
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remove redundant code: all struct members are initialized to defaults in the constructor
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2021-09-16 07:45:33 -04:00 |
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90225153d9
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make sure err_flag is initialized
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2021-09-16 07:33:34 -04:00 |
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353b3a2bb3
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reformat for increased readability
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2021-09-16 07:25:04 -04:00 |
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dc50db0675
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use explicit scoping when virtual dispatch is not (yet) available
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2021-09-16 01:01:38 -04:00 |
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1fd25071b9
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modernize
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2021-09-16 01:01:19 -04:00 |
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ef8a0e5005
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removed dead code, reformat
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2021-09-16 00:55:30 -04:00 |
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761e519a15
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simplify
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2021-09-16 00:55:02 -04:00 |
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a47df02f79
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modernize
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2021-09-16 00:54:46 -04:00 |
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c83ad07740
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simplify
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2021-09-16 00:27:16 -04:00 |
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2c945f6753
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small performance optimization for pair style comb
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2021-09-16 00:26:53 -04:00 |
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7aa6241db5
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about 1.5x speedup for pair style comb3 by using MathSpecial::powint()
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2021-09-16 00:13:28 -04:00 |
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2b6ff442d8
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remove dead code
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2021-09-16 00:11:53 -04:00 |
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72193bf877
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simplify/modernize
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2021-09-16 00:11:44 -04:00 |
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707d9f0ad2
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use correct data type for MPI calls
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2021-09-16 00:11:16 -04:00 |
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94f83c172a
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simplify and modernize code a little
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2021-09-15 23:15:14 -04:00 |
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1f1029486a
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fix small bug
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2021-09-15 20:13:54 -04:00 |
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7196a295a6
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small tweaks from static code analysis
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2021-09-15 19:50:52 -04:00 |
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fbd0fd7727
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fix typo
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2021-09-15 17:23:20 -04:00 |
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36b3ee32a4
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simplify
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2021-09-15 16:46:33 -04:00 |
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3caa066c28
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simplify/optimize code
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2021-09-15 16:23:07 -04:00 |
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a8220a8502
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cosmetic changes
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2021-09-15 16:08:53 -04:00 |
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7d92d665e8
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use explicit scoping when virtual dispatch is not available.
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2021-09-15 16:08:17 -04:00 |
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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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1fdba7280e
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small optimization
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2021-09-15 15:14:52 -04:00 |
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f01681eae7
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use symbolic constant
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2021-09-15 15:09:58 -04:00 |
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9c301822fd
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use nullptr
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2021-09-15 14:57:10 -04:00 |
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eb80102871
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spelling
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2021-09-15 13:51:31 -04:00 |
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1b91bfbfa1
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spelling
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2021-09-14 17:17:46 -04:00 |
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b1092cfa4e
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detect C++20 standard
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2021-09-14 11:56:43 -04:00 |
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c8170c3388
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fix mingw 32-bit vs 64-bit craziness
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2021-09-13 10:14:34 -04:00 |
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ede3762e84
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detect a few more compilers
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2021-09-13 00:29:04 -04:00 |
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1c21560c70
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must not clear force array. will segfault in hybrid atom styles
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2021-09-10 20:33:49 -04:00 |
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b535e58e16
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Merge pull request #2929 from stanmoore1/kk_gridcomm
Recover Kokkos compilation
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2021-09-09 23:30:41 -04:00 |
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551810d388
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Merge pull request #2928 from wouterel/enable-dyngroups-fixbondcreate
Enable dynamic groups for fix bond/create
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2021-09-09 23:27:55 -04:00 |
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e2b44e89a7
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Merge pull request #2927 from akohlmey/docs-update
Update documentation for the stable release
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2021-09-09 23:03:12 -04:00 |
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390f9eff39
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Merge branch 'master' into kk_gridcomm
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2021-09-09 19:17:55 -04:00 |
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6bad470dd5
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avoid namespace clash in mini-regex library
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2021-09-08 20:39:41 -04:00 |
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bc7dfbed3c
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add missing #if
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2021-09-08 20:00:39 -04:00 |
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9cdb83a24d
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support utils::guesspath() also on Windows
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2021-09-08 18:17:14 -04:00 |
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40f861097c
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Recover Kokkos compilation
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2021-09-08 14:41:51 -06:00 |
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b87a48e40b
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re-apply clang-format
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2021-09-08 15:42:15 -04:00 |
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cfa94dfbaf
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add support for utils::guesspath() on macos
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2021-09-08 15:14:06 -04:00 |
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22f295ffd8
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Prevent buffer overflow in TextFileReader::next_dvector()
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2021-09-08 10:52:42 -04:00 |
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ebcf0bd6a1
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Enable dyanmic groups for fix bond/create
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2021-09-08 11:54:50 +02:00 |
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c1dbc110d9
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cosmetic changes for consistency
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2021-09-07 19:12:59 -04:00 |
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a4735628f9
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document flags that were missing in the man page and the help message
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2021-09-07 19:11:51 -04:00 |
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194a42b7a5
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use more reasonable install prefix when compiling natively on Windows
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2021-09-07 15:05:17 -04:00 |
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