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
|
eedcc97e4a
|
Remove segfaults
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-28 15:18:54 +01:00 |
|
Rafael Ravedutti
|
cbe42b8149
|
Fix errors to make gromacs approach compilable so far
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-25 12:19:28 +01:00 |
|
Rafael Ravedutti
|
6291709ae7
|
Add first draft code with GROMACS approach
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-25 00:43:10 +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 |
|