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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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a18b4ef4b0
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update AGNI potential for Al, reference runs and output and citation
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2017-02-24 15:33:13 -05:00 |
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5ff5bc2a6c
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avoid issues detected by coverity scan
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2016-11-28 21:34:35 -05:00 |
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25d7be5f3d
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compute pressure doc change
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2016-11-17 16:11:30 -07:00 |
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d0124eac95
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optimized data access and using approximate exponential for USER-OMP version
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2016-11-12 08:36:27 -05:00 |
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22fc92f9d8
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use special ev_tally() function suitable for this kind of force compute
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2016-11-11 18:32:55 -05:00 |
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9cc0c8badd
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error exit when requested element is not in potential file
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2016-11-11 18:10:57 -05:00 |
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9b0987d8c4
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first complete implementation of AGNI pair style
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2016-11-11 17:32:47 -05:00 |
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e453adaf81
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implemented parser for 1 element potential files
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2016-11-11 15:53:37 -05:00 |
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801111a7ab
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dummy framework implementation for AGNI pair style
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2016-11-10 15:00:36 -05:00 |
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