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c49278cb21
MD-Bench/src
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Martin Bauernfeind c49278cb21 First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda)
2022-06-26 16:25:59 +02:00
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includes First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda) 2022-06-26 16:25:59 +02:00
allocate.c Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update 2022-01-01 18:18:12 +01:00
atom.c Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update 2022-01-01 18:18:12 +01:00
eam_utils.c Add EAM without explicit types and update fp for PBC atoms 2021-11-03 00:57:24 +01:00
force_eam.c Add EAM without explicit types and update fp for PBC atoms 2021-11-03 00:57:24 +01:00
force-tracing.c Introduce separate version for traced force routine. 2021-10-26 09:11:17 +02:00
force.cu First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda) 2022-06-26 16:25:59 +02:00
main-stub.c Fix errors introduced by last changes 2021-10-26 01:19:11 +02:00
main.c First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda) 2022-06-26 16:25:59 +02:00
neighbor.cu First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda) 2022-06-26 16:25:59 +02:00
pbc.c Add EAM without explicit types and update fp for PBC atoms 2021-11-03 00:57:24 +01:00
stats.c Add first working version of EAM 2021-10-26 13:55:14 +02:00
thermo.c Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update 2022-01-01 18:18:12 +01:00
timing.c Introduce generic variant targets 2021-04-12 08:24:27 +02:00
util.c Introduce generic variant targets 2021-04-12 08:24:27 +02:00
vtk.c Fix integration with mass and add VTK output 2021-10-29 16:52:19 +02:00