Commit Graph

7 Commits

Author SHA1 Message Date
JairoBuitrago
a13a0f3bae Final MPI version 2024-04-15 16:53:25 +02:00
Jan Eitzinger
3d0f4b97ee Switch copyright header in source files. 2022-09-05 10:39:42 +02:00
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
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
e7737e9151 Refactor half neighbor lists code
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-18 01:28:11 +01:00
Jan Eitzinger
c2fcd50773 Initial version of lammps halfneighbor list 2022-03-10 17:06:45 +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