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37 lines
557 B
Fortran
37 lines
557 B
Fortran
subroutine dump_orbitals(nBas,c)
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! Write orbitals in 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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integer :: mu,p
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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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open(unit=12,file='int/MO.dat')
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! Dump orbitals
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do mu=1,nBas
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do p=1,nBas
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if(abs(c(mu,p)) > 1d-15) write(12,'(I6,I6,F20.15)') mu,p,c(mu,p)
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enddo
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enddo
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! Close file
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12 close(unit=12)
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end subroutine dump_orbitals
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