Maximilian Gaul c4080e866e Make integrate kernels aware of neighbour list update

2022-01-24 18:04:50 +01:00

..

includes

Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update

2022-01-01 18:18:12 +01:00

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

Make integrate kernels aware of neighbour list update

2022-01-24 18:04:50 +01:00

main-stub.c

Fix errors introduced by last changes

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

main.c

Make integrate kernels aware of neighbour list update

2022-01-24 18:04:50 +01:00

neighbor.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

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