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