Rafael Ravedutti
|
5fd2d422ee
|
Adjust kernels to work with MxN loops
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-02-02 00:49:55 +01:00 |
|
Rafael Ravedutti
|
85e7954932
|
Check all clusters in cell when building neighbor lists because ghost clusters may not be sorted
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-02-01 20:16:04 +01:00 |
|
Rafael Ravedutti
|
e64c3345bc
|
Fix a few more bugs on gromacs variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-31 23:46:20 +01:00 |
|
Rafael Ravedutti
|
e0e6b6a68c
|
Perform a few fixes for gromacs variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-31 17:49:22 +01:00 |
|
Rafael Ravedutti
|
6691803910
|
Add first version of force calculation with cluster scheme
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-28 18:07:41 +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 |
|