mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-09-27 20:11:51 +02:00
Added dimension of en_pot in definition. #41
This commit is contained in:
parent
a6e625016c
commit
cff6b8a47a
@ -80,7 +80,7 @@ int main() {
|
||||
| ~nn_distance_rescaled_date~ | int64_t | Date when Nucleus-nucleus rescaled distances were computed |
|
||||
| ~repulsion~ | double | Nuclear repulsion energy |
|
||||
| ~repulsion_date~ | int64_t | Date when the nuclear repulsion energy was computed |
|
||||
| ~en_pot~ | double | Electron-nucleus potential energy |
|
||||
| ~en_pot~ | double[walk_num] | Electron-nucleus potential energy |
|
||||
| ~en_pot_date~ | int64_t | Date when the electron-nucleus potential energy was computed |
|
||||
|
||||
** Data structure
|
||||
|
Loading…
Reference in New Issue
Block a user