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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-03 18:06:07 +02:00

Fixed Fortran function call bug.

This commit is contained in:
Francois Coppens 2023-02-23 15:57:35 +01:00
parent 8216f682b3
commit 7a97aa4a77

View File

@ -29,7 +29,7 @@ int main() {
This is the range that determines the how many high performance kernel instantces will be generated, using the C-function templates defined in the sections below. If the name of the C-function template is called ~qmckl_kernel_{Dim}~, then ~range(K, L+1)~ will results in kernel instances from ~qmckl_kernel_K~ to ~qmckl_kernel_L~.
#+NAME:kernel_generator_range
#+begin_src python :noweb yes :exports none
range(2, 3)
range(2, 22)
#+end_src
@ -244,7 +244,7 @@ integer function qmckl_sm_naive_doc_f(context, &
end do
! Copy updated inverse back to s_inv
call copy_back(Inverse, s_inv, lds, dim)
call copy_back_inv(Inverse, s_inv, lds, dim)
info = QMCKL_SUCCESS
@ -1451,6 +1451,8 @@ integer recursive function qmckl_sm_splitting_doc_f( &
real*8 , intent(inout) :: s_inv(dim * lds)
real*8 , intent(inout) :: determinant
integer , external :: qmckl_sm_splitting_core_doc_f
integer*8 :: Later
integer*8 , dimension(nupdates) :: Later_index
real*8 , dimension(nupdates * lds) :: Later_updates
@ -1690,17 +1692,7 @@ qmckl_exit_code qmckl_sm_splitting(
Slater_inv,
determinant);
#else
// return qmckl_sm_splitting_doc(
// context,
// LDS,
// Dim,
// N_updates,
// Updates,
// Updates_index,
// breakdown,
// Slater_inv,
// determinant);
return qmckl_sm_splitting_hpc(
return qmckl_sm_splitting_doc(
context,
LDS,
Dim,
@ -1710,6 +1702,16 @@ qmckl_exit_code qmckl_sm_splitting(
breakdown,
Slater_inv,
determinant);
// return qmckl_sm_splitting_hpc(
// context,
// LDS,
// Dim,
// N_updates,
// Updates,
// Updates_index,
// breakdown,
// Slater_inv,
// determinant);
#endif
return QMCKL_SUCCESS;