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40 lines
801 B
Fortran
40 lines
801 B
Fortran
subroutine read_molecule(nNuc,nEl,nO,nC,nR)
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! Read number of atoms and number of electrons
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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(out) :: nNuc,nEl,nO,nC,nR
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! Open file with geometry specification
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open(unit=1,file='input/molecule')
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! Read number of atoms and number of electrons
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read(1,*)
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read(1,*) nNuc,nEl,nC,nR
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nO = nEl/2
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! Print results
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write(*,'(A28)') '----------------------'
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write(*,'(A28,1X,I16)') 'Number of atoms',nNuc
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write(*,'(A28)') '----------------------'
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write(*,*)
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write(*,'(A28)') '----------------------'
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write(*,'(A28,1X,I16)') 'Number of electrons',nEl
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write(*,'(A28)') '----------------------'
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write(*,*)
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! Close file with geometry specification
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close(unit=1)
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end subroutine read_molecule
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