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quack/src/eDFT/read_grid.f90

50 lines
958 B
Fortran

subroutine read_grid(SGn,radial_precision,nRad,nAng)
! Read grid type
implicit none
! Input variables
integer,intent(in) :: SGn
! Output variables
double precision,intent(out) :: radial_precision
integer,intent(out) :: nRad
integer,intent(out) :: nAng
write(*,*)'----------------------------------------------------------'
write(*,'(A22,I1)')' Quadrature grid: SG-',SGn
write(*,*)'----------------------------------------------------------'
select case (SGn)
case(0)
radial_precision = 1d-5
nRad = 23
nAng = 170
case(1)
radial_precision = 1d-7
nRad = 50
nAng = 194
case(2)
radial_precision = 1d-9
nRad = 75
nAng = 302
case(3)
radial_precision = 1d-11
nRad = 99
nAng = 590
case default
call print_warning('!!! Quadrature grid not available !!!')
stop
end select
end subroutine read_grid