subroutine write_on_top_in_real_space implicit none BEGIN_DOC ! This routines is a simple example of how to plot the on-top pair density on a simple 1D grid END_DOC double precision :: zmax,dz,r(3),on_top_in_r,total_density,zcenter,dist integer :: nz,i,istate character*(128) :: output integer :: i_unit_output,getUnitAndOpen PROVIDE ezfio_filename output=trim(ezfio_filename)//'.on_top' print*,'output = ',trim(output) i_unit_output = getUnitAndOpen(output,'w') zmax = 2.0d0 print*,'nucl_coord(1,3) = ',nucl_coord(1,3) print*,'nucl_coord(2,3) = ',nucl_coord(2,3) dist = dabs(nucl_coord(1,3) - nucl_coord(2,3)) zmax += dist zcenter = (nucl_coord(1,3) + nucl_coord(2,3))*0.5d0 print*,'zcenter = ',zcenter print*,'zmax = ',zmax nz = 1000 dz = zmax / dble(nz) r(:) = 0.d0 r(3) = zcenter -zmax * 0.5d0 print*,'r(3) = ',r(3) istate = 1 do i = 1, nz call give_on_top_in_r_one_state(r,istate,on_top_in_r) call give_cas_density_in_r(r,total_density) write(i_unit_output,*)r(3),on_top_in_r,total_density r(3) += dz enddo end