Commit Graph

12 Commits

Author SHA1 Message Date
Maximilian Gaul
50007216ed Implemented atom force AoS memory layout, added performance measurements + logbook Update 2022-01-01 16:09:21 +01:00
Rafael Ravedutti
ec556eb117 Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-11-03 00:57:24 +01:00
Rafael Ravedutti
40ddc9ad50 Fix errors introduced by last changes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-10-26 01:19:11 +02:00
Rafael Ravedutti
4496e91125 Add version with explicit types for atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-05-19 23:51:02 +02:00
Rafael Ravedutti
4b481bb407 Fix macros for AoS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-03-23 16:21:08 +01:00
Jan Eitzinger
6679b6c8aa Simplify macros for data structure access.
Still segvaults for AoS.
2021-03-23 09:26:41 +01:00
Rafael Ravedutti
cb0ae2b0bb Replace inline calls by macros
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-03-22 21:51:47 +01:00
Rafael Ravedutti
3f7edb5dbf Add support for AoS data layout
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-03-20 18:32:50 +01:00
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