Rafael Ravedutti
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039de0be99
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Fix stubbed versions and debug messages
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2023-03-30 03:49:57 +02:00 |
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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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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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3d95ec4b0a
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Small fixes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-08-09 19:19:48 +02:00 |
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Rafael Ravedutti
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79483a446e
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Adjust code with DEM to be compilable
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-07-06 01:07:39 +02:00 |
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Rafael Ravedutti
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e4d7faf91b
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Adjust cutforce and atom positions in stubbed version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-05-14 01:02:08 +02:00 |
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Rafael Ravedutti
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bbdcaf2983
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New stubbed version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-05-14 00:55:33 +02:00 |
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Rafael Ravedutti
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14838389ff
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Fix stubbed variant for LAMMPS algorithm
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-04-30 04:08:18 +02:00 |
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Rafael Ravedutti
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d61576699d
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Add first compilable version of Gromacs with SP
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-15 02:40:56 +01:00 |
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Rafael Ravedutti
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aa0f4048d0
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Rename default directory to lammps and reorganize gromacs variant steps
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-01-25 21:00:11 +01:00 |
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