mirror of https://github.com/pfloos/quack
29 lines
556 B
Fortran
29 lines
556 B
Fortran
subroutine CalcNBasis(nShell,atot,NBasis)
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implicit none
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! Input variables
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integer,intent(in) :: nShell
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integer,intent(in) :: atot(nShell)
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! Local variables
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integer :: iShell
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! Output variables
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integer,intent(out) :: NBasis
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NBasis = 0
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do iShell=1,nShell
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NBasis = NBasis + (atot(iShell)*atot(iShell) + 3*atot(iShell) + 2)/2
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enddo
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write(*,'(A28)') '------------------'
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write(*,'(A28,1X,I16)') 'Number of basis functions',NBasis
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write(*,'(A28)') '------------------'
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write(*,*)
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end subroutine CalcNBasis
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