mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 05:43:31 +01:00
20 lines
571 B
Fortran
20 lines
571 B
Fortran
|
BEGIN_PROVIDER [ integer, n_pt_max_integrals ]
|
||
|
&BEGIN_PROVIDER [ integer, n_pt_max_i_x]
|
||
|
implicit none
|
||
|
BEGIN_DOC
|
||
|
! Number of points used in the numerical integrations.
|
||
|
END_DOC
|
||
|
integer :: n_pt_sup
|
||
|
integer :: prim_power_l_max
|
||
|
include 'utils/constants.include.F'
|
||
|
prim_power_l_max = maxval(ao_power)
|
||
|
n_pt_max_integrals = 24 * prim_power_l_max + 4
|
||
|
n_pt_max_i_x = 8 * prim_power_l_max
|
||
|
ASSERT (n_pt_max_i_x-1 <= max_dim)
|
||
|
if (n_pt_max_i_x-1 > max_dim) then
|
||
|
print *, 'Increase max_dim in utils/constants.include.F to ', n_pt_max_i_x-1
|
||
|
stop 1
|
||
|
endif
|
||
|
END_PROVIDER
|
||
|
|