Rafael Ravedutti
4c53519c73
Add output as CSV
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-22 01:22:18 +02:00
Rafael Ravedutti
fd108d97d8
Fix problem when atoms_per_unit_cell is less or equal than 4
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-22 00:07:42 +02:00
Rafael Ravedutti
3c7dbc833a
Allow any values for atoms_per_unit_cell
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-21 13:01:06 +02:00
Rafael Ravedutti
d3121ee08f
Adjust computeForce parameters for stub
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-21 11:28:02 +02:00
Rafael Ravedutti
78e6e5c773
Merge master branch into stub
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-15 20:12:36 +02:00
Jan Eitzinger
06ba3b2726
Restructure timing and instrumentation. Add performance metric.
2021-04-15 14:55:02 +02:00
Rafael Ravedutti
a0699dde4c
Merge branch 'master' into stub
2021-04-12 23:10:36 +02:00
Jan Eitzinger
35273c491b
Introduce generic variant targets
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Change Makefiles to allow multiple binary targets specified by VARIANT
environment variabel. For specified variants a matching main-<VARIANT>.c
source file must be present.
2021-04-12 08:24:27 +02:00
