[xcrysden] Isosurfaces

[C.Friedrich]

Dear all,

I am sorry if this has been asked already. I have not found a way to
search the mailing-list archives.

My program plots several 3D grids into a single XSF file in the
following form:

BEGIN_BLOCK_DATAGRID_3D
   Wannier orbitals
   BEGIN_DATAGRID_3D_orbital=1
   ... (definition of 3D grid) ...
   ... (grid data) ...
   END_DATAGRID_3D
   BEGIN_DATAGRID_3D_orbital=2
   ... (definition of 3D grid) ...
   ... (grid data) ...
   END_DATAGRID_3D
   ... (more grids) ...
END_BLOCK_DATAGRID_3D

When I open "Tools->data grid" in XCrySDen, it lets me choose any of the
grids (or a linear combination) to plot. This works fine. However, when
I want to look at a different data grid (from the same perspective) and
"close" the isosurface, going to "Tools->data grid" just reopens the
same isosurface again. It does not give me the menu from which to choose
a data grid.

The only possibility is to hit "File->close" and reopen the xsf file,
but then I have lost the perspective (and all other parameters I might
have adjusted).

Thank you and best wishes
Christoph



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