forgot to remove simpson from PW dir

carlo


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@68 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
cavazzon 2003-02-13 23:15:15 +00:00
parent 6485045722
commit c4e0116f74
1 changed files with 0 additions and 40 deletions

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!
! Copyright (C) 2001 PWSCF group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!-----------------------------------------------------------------------
subroutine simpson (mesh, func, rab, asum)
!-----------------------------------------------------------------------
!
! simpson's rule integrator for function stored on the
! radial logarithmic mesh
!
use parameters
implicit none
integer :: i, mesh
real(kind=DP) :: rab (mesh), func (mesh), f1, f2, f3, r12, asum
! routine assumes that mesh is an odd number so run check
! if ( mesh+1 - ( (mesh+1) / 2 ) * 2 .ne. 1 ) then
! write(*,*) '***error in subroutine radlg'
! write(*,*) 'routine assumes mesh is odd but mesh =',mesh+1
! stop
! endif
asum = 0.0d0
r12 = 1.0d0 / 12.0d0
f3 = func (1) * rab (1) * r12
do i = 2, mesh - 1, 2
f1 = f3
f2 = func (i) * rab (i) * r12
f3 = func (i + 1) * rab (i + 1) * r12
asum = asum + 4.0d0 * f1 + 16.0d0 * f2 + 4.0d0 * f3
enddo
return
end subroutine simpson