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Merge branch 'master' into develop

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eginer 2019-02-06 15:30:18 +01:00
commit c3aa9dbe3b
1 changed files with 1 additions and 16 deletions
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17
src/ao_basis/aos_in_r.irp.f
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@ -66,21 +66,6 @@ double precision function primitive_value(i,j,r)
end 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) subroutine give_all_aos_at_r(r,aos_array)
implicit none implicit none
BEGIN_dOC BEGIN_dOC
@ -89,7 +74,7 @@ subroutine give_all_aos_at_r(r,aos_array)
! output : aos_array(i) = aos(i) evaluated in $\textbf{r}$ ! output : aos_array(i) = aos(i) evaluated in $\textbf{r}$
END_DOC END_DOC
double precision, intent(in) :: r(3) 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 :: power_ao(3)
integer :: i,j,k,l,m integer :: i,j,k,l,m