subroutine read_molecule(nNuc,nEl,nO,nC,nR) ! Read number of atoms and number of electrons implicit none include 'parameters.h' ! Input variables integer,intent(out) :: nNuc,nEl,nO,nC,nR ! Open file with geometry specification open(unit=1,file='input/molecule') ! Read number of atoms and number of electrons read(1,*) read(1,*) nNuc,nEl,nC,nR nO = nEl/2 ! Print results write(*,'(A28)') '----------------------' write(*,'(A28,1X,I16)') 'Number of atoms',nNuc write(*,'(A28)') '----------------------' write(*,*) write(*,'(A28)') '----------------------' write(*,'(A28,1X,I16)') 'Number of electrons',nEl write(*,'(A28)') '----------------------' write(*,*) ! Close file with geometry specification close(unit=1) end subroutine read_molecule