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Added dimension of en_pot in definition. #41

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v1j4y 2021-10-13 18:21:59 +02:00
parent a6e625016c
commit cff6b8a47a
1 changed files with 2 additions and 2 deletions
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org/qmckl_nucleus.org
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@ -80,7 +80,7 @@ int main() {
| ~nn_distance_rescaled_date~ | int64_t | Date when Nucleus-nucleus rescaled distances were computed | | ~nn_distance_rescaled_date~ | int64_t | Date when Nucleus-nucleus rescaled distances were computed |
| ~repulsion~ | double | Nuclear repulsion energy | | ~repulsion~ | double | Nuclear repulsion energy |
| ~repulsion_date~ | int64_t | Date when the nuclear repulsion energy was computed | | ~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 | | ~en_pot_date~ | int64_t | Date when the electron-nucleus potential energy was computed |
** Data structure ** Data structure
@ -1338,7 +1338,7 @@ end function qmckl_compute_en_potential_f
#+end_src #+end_src
*** Test *** Test
* End of files :noexport: * End of files :noexport:
#+begin_src c :tangle (eval h_private_type) #+begin_src c :tangle (eval h_private_type)