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0ce25755cd
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second round of include-what-you-use updates
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2024-02-28 15:37:13 -05:00 |
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5967865af9
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remove unused class member
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2024-02-27 22:42:13 -05:00 |
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73e42481f7
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modernize and consolidate ML compute styles
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2024-02-27 20:55:52 -05:00 |
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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -05:00 |
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48b5e16f5d
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remove unused class members, initialize pointers, adjust programming style
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2023-12-13 22:39:14 -05:00 |
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73f1bac827
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remove commented out code. print warnings only on mpi rank 0
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2023-12-05 06:09:34 -05:00 |
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db4f55b76f
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compatibility with new lammps-user-pace library and cleanup
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2023-09-19 17:24:15 -06:00 |
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1b86d647de
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cleaned up headers and used PIMPL namespace instead, fixed whitespace, fixed homepage
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2023-08-24 17:08:31 -06:00 |
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48a957f333
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Remove screen print
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2022-11-03 09:04:50 -06:00 |
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02370fa25e
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Include headers in ace-evaluator directory
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2022-11-02 14:51:00 -06:00 |
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5c6dedae52
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fixed bug for bikflag 1 dgradflag 0
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2022-10-28 14:17:24 -06:00 |
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e74b6769a9
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No need to populate map in constructor
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2022-10-28 14:17:24 -06:00 |
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9130f0a327
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Working multi-element example
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2022-10-28 14:17:24 -06:00 |
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a03a6a9692
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compute pace for ACE descriptor calculations
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2022-09-28 10:12:00 -06:00 |
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