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51 lines
853 B
Fortran
51 lines
853 B
Fortran
subroutine read_guess(nBas,c)
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! Read the orbitals from a file
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: nBas
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! Local variables
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logical :: debug
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integer :: mu,p
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double precision :: coeff
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! Output variables
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double precision,intent(out) :: c(nBas,nBas)
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! Open file with orbitals
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debug = .false.
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open(unit=12,file='int/MO.dat')
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! Read coefficients
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c(:,:) = 0d0
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do
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read(12,*,end=12) mu,p,coeff
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c(mu,p) = coeff
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c(mu,p) = coeff
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enddo
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! Close file
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12 close(unit=12)
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! Print results
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if(debug) then
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write(*,'(A28)') '----------------------'
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write(*,'(A28)') 'Orbitals'
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write(*,'(A28)') '----------------------'
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call matout(nBas,nBas,c)
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write(*,*)
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endif
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end subroutine read_guess
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