Maximilian Gaul
dc4d5f1a9c
Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update
2022-01-01 18:18:12 +01:00
Rafael Ravedutti
0f1e824507
Fix integration with mass and add VTK output
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-10-29 16:52:19 +02:00
Rafael Ravedutti
d9c9cba12d
Set EAM parameters for same case as miniMD
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-10-27 01:38:56 +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
Rafael Ravedutti
7efd30791a
Add version with stubbed force calculation
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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-03-30 01:54:56 +02:00
Jan Eitzinger
b39957421c
Include Likwid Markers. Allow to switch between SP and DP floats.
2020-11-05 12:41:44 +01:00
Jan Eitzinger
a0acce6cb3
Switch License to LGPL3
2020-08-19 10:47:40 +02:00
Jan Eitzinger
71ea8dbb0e
Refactor. Fix bug in atom initialization.
2020-08-19 09:00:35 +02:00
Jan Eitzinger
e7869286d7
Introduce modular version.
2020-08-18 14:27:28 +02:00
