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e6fb0e3bd8
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small tweaks
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2021-09-17 16:51:37 -04:00 |
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3046c9ca93
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include EXTRA-DUMP in "most"
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2021-09-16 23:01:42 -04:00 |
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dc49917412
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remove unused variable
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2021-09-16 22:58:42 -04:00 |
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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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5c14825d69
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Add stable link in docs
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2021-09-16 18:13:41 -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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0fcc10b635
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fix typo
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2021-09-16 10:18:49 -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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5411075cc6
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modernize
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2021-09-16 07:44:27 -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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00e396c921
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move misplaced #endif and make code more readable
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2021-09-16 07:33:24 -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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272badfa7f
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small tweaks
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2021-09-15 20:14:06 -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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fef8f51d80
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refer to "XXX Coeffs" sections consistently
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2021-09-15 19:20:47 -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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70b09a809d
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Bugfix from Trung for crashes in pppm/gpu without local atoms
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2021-09-15 17:23:12 -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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c1fa663dd8
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Try to improve the pair style hybrid docs
This specifically tries to avoid the ambiguous use of "mixing" and
clarify that similar is still different when pair styles are concerned.
See discussion here: https://matsci.org/t/confusion-about-mixing-and-pair-coeff-section/38317/3
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2021-09-15 13:48:47 -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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b1ebaa298c
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build "fat" cuda binaries only with known toolkits
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2021-09-14 17:17:38 -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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37894d48c6
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Revert "simplify building shared libs on windows"
This reverts commit fa3429ab02.
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2021-09-13 07:24:00 -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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fa3429ab02
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simplify building shared libs on windows
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2021-09-12 22:09:18 -04:00 |
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585f35235e
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add note to README files about age of the example
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2021-09-11 13:31:55 -04:00 |
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8cef98fae7
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update example to use current library interface. No need to use the namespace.
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2021-09-11 13:31:55 -04:00 |
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