Rafael Ravedutti
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15d43dcce5
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Explicitly set half_neigh to zero on stubbed versions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-12-14 17:21:09 +01:00 |
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Rafael Ravedutti
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04ea1b027e
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Print kernel and precision info in gromacs-stub
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-11-16 16:15:15 +01:00 |
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Rafael Ravedutti
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56d9613028
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Implement stubbed version for GROMACS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-11-15 16:01:13 +01:00 |
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Jan Eitzinger
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3d0f4b97ee
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Switch copyright header in source files.
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2022-09-05 10:39:42 +02:00 |
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Rafael Ravedutti
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c7360305c8
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Add first draft version of GROMACS method separating i-clusters and j-clusters
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-09 02:25:39 +01:00 |
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Rafael Ravedutti
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df09c2861e
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Add first version with more than one optimization scheme
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-01-17 14:15:02 +01:00 |
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