LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

Merge branch 'master' into develop

Browse Source
This commit is contained in:
eginer 2019-02-06 15:30:18 +01:00
commit c3aa9dbe3b
1 changed files with 1 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

17
src/ao_basis/aos_in_r.irp.f
View File

@ -66,21 +66,6 @@ double precision function primitive_value(i,j,r)
end
subroutine give_all_aos_at_r_old(r,aos_array)
implicit none
BEGIN_dOC
! Gives the values of |AOs| at a given point $\textbf{r}$
END_DOC
double precision, intent(in) :: r(3)
double precision, intent(out) :: aos_array(ao_num)
integer :: i
double precision :: ao_value
do i = 1, ao_num
aos_array(i) = ao_value(i,r)
enddo
end
subroutine give_all_aos_at_r(r,aos_array)
implicit none
BEGIN_dOC
@ -89,7 +74,7 @@ subroutine give_all_aos_at_r(r,aos_array)
! output : aos_array(i) = aos(i) evaluated in $\textbf{r}$
END_DOC
double precision, intent(in) :: r(3)
double precision, intent(out) :: aos_array(ao_num)
double precision, intent(out):: aos_array(ao_num)
integer :: power_ao(3)
integer :: i,j,k,l,m