Martin Bauernfeind fa86e44f90 Fixed wrong number of threadblock being launched

2022-07-04 19:36:09 +02:00

..

includes

Fixed some compiler errors - the simulation seems to be off regarding how many ghost atoms are used -> some bugfixing might be needed

2022-07-03 21:14:33 +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

Ported the updatePbc method to cuda

2022-07-03 19:53:33 +02:00

main-stub.c

Fix errors introduced by last changes

2021-10-26 01:19:11 +02:00

main.c

Fixed some compiler errors - the simulation seems to be off regarding how many ghost atoms are used -> some bugfixing might be needed

2022-07-03 21:14:33 +02:00

neighbor.cu

Ported the updatePbc method to cuda

2022-07-03 19:53:33 +02:00

pbc.cu

Fixed wrong number of threadblock being launched

2022-07-04 19:36:09 +02:00

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