From cff6b8a47abd81457feefca944df07f0c7ff8485 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Wed, 13 Oct 2021 18:21:59 +0200 Subject: [PATCH] Added dimension of en_pot in definition. #41 --- org/qmckl_nucleus.org | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/org/qmckl_nucleus.org b/org/qmckl_nucleus.org index 634fb46..e570e99 100644 --- a/org/qmckl_nucleus.org +++ b/org/qmckl_nucleus.org @@ -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 @@ -1338,7 +1338,7 @@ end function qmckl_compute_en_potential_f #+end_src *** Test - + * End of files :noexport: #+begin_src c :tangle (eval h_private_type)