Rafael Ravedutti
|
43259eb3cf
|
Adjust neighbor lists layout to keep neighbor ids contiguous in memory
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2023-03-30 01:57:26 +02:00 |
|
Rafael Ravedutti
|
3eb7170a65
|
Adapt stubbed version for new neighbor lists in GROMACS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2023-03-29 21:54:33 +02:00 |
|
Rafael Ravedutti
|
15d43dcce5
|
Explicitly set half_neigh to zero on stubbed versions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-12-14 17:21:09 +01:00 |
|
Rafael Ravedutti
|
04ea1b027e
|
Print kernel and precision info in gromacs-stub
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-11-16 16:15:15 +01:00 |
|
Rafael Ravedutti
|
56d9613028
|
Implement stubbed version for GROMACS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-11-15 16:01:13 +01:00 |
|
Jan Eitzinger
|
3d0f4b97ee
|
Switch copyright header in source files.
|
2022-09-05 10:39:42 +02:00 |
|
Rafael Ravedutti
|
c7360305c8
|
Add first draft version of GROMACS method separating i-clusters and j-clusters
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-03-09 02:25:39 +01:00 |
|
Rafael Ravedutti
|
df09c2861e
|
Add first version with more than one optimization scheme
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-17 14:15:02 +01:00 |
|