Rafael Ravedutti
|
939197a785
|
Create separate structs DeviceAtom and DeviceNeighbor with device pointers
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-08-12 17:28:06 +02:00 |
|
Rafael Ravedutti
|
065b596074
|
Initial refactoring of CUDA code
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-08-12 04:19:38 +02:00 |
|
Rafael Ravedutti
|
c18124b066
|
Integrate LAMMPS CUDA versions into master branch
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-08-09 18:53:53 +02:00 |
|
Rafael Ravedutti
|
99237241fb
|
Include domain box on DEM input file
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-07-08 23:15:30 +02:00 |
|
Rafael Ravedutti
|
814f561993
|
Allow PBC in just some directions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-07-08 02:30:03 +02:00 |
|
Rafael Ravedutti
|
32836eebcb
|
Setup first DEM example with input file from lecture
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-07-07 02:11:50 +02:00 |
|
Rafael Ravedutti
|
79483a446e
|
Adjust code with DEM to be compilable
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-07-06 01:07:39 +02:00 |
|
Rafael Ravedutti
|
bb599c9ea8
|
Add first version of DEM kernel
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-07-05 15:33:31 +02:00 |
|
Rafael Ravedutti
|
719330807b
|
Change data layout for force arrays according to position
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-03-18 01:40:51 +01:00 |
|
Rafael Ravedutti
|
887f41871c
|
Add parameter reading for LAMMPS variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-03-17 02:44:34 +01:00 |
|
Rafael Ravedutti
|
1a708f2d3b
|
Add PDB reading functions to lammps variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-02-24 15:17:51 +01:00 |
|
Rafael Ravedutti
|
aa0f4048d0
|
Rename default directory to lammps and reorganize gromacs variant steps
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-25 21:00:11 +01:00 |
|