Martin Bauernfeind
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fa409c016c
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Added a struct to contain binning information such as the pointer to bincount and bins - not used yet
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2022-07-08 13:52:45 +02:00 |
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Martin Bauernfeind
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45f83c7607
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Fixed some struct declaration mistakes
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2022-06-26 17:52:09 +02:00 |
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Martin Bauernfeind
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c49278cb21
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First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda)
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2022-06-26 16:25:59 +02:00 |
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Martin Bauernfeind
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757d4329f3
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Added a rough sketch for the next steps of porting neighborhood computation to cuda
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2022-06-23 23:58:15 +02:00 |
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Rafael Ravedutti
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ec556eb117
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Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-11-03 00:57:24 +01:00 |
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Rafael Ravedutti
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55d346510e
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Compute statistics, useful data volume and cycles per SIMD iteration
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-12 15:04:08 +02:00 |
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Rafael Ravedutti
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f295f54fca
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Add useful data volume calculation for force kernel
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-11 16:57:02 +02:00 |
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Jan Eitzinger
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b39957421c
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Include Likwid Markers. Allow to switch between SP and DP floats.
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2020-11-05 12:41:44 +01:00 |
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Jan Eitzinger
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a0acce6cb3
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Switch License to LGPL3
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2020-08-19 10:47:40 +02:00 |
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Jan Eitzinger
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71ea8dbb0e
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Refactor. Fix bug in atom initialization.
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2020-08-19 09:00:35 +02:00 |
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Jan Eitzinger
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e7869286d7
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Introduce modular version.
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2020-08-18 14:27:28 +02:00 |
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