/*! \page One_particle_densityDoc one-particle density Keyword: DENSITY \section description Description Collects the one-particle density \f$ \rho(r)=\int dr_2...dr_N \Psi^2(r,r_2,...,r_N) \f$ and stores it in the Gaussian cube file format readable by VMD or other quantum chemistry visualization software. \section options Options \subsection optopt Optional
Option Type Default Description
OUTPUTFILE String runid.cube Choose the file name of the cube file. If one the UP/DOWN options below are chosen, then this will default to runid.up.cube or runid.down.cube, as appropriate.
MIN Section special See MAX
MAX Section special If MIN and/or MAX is not given, and the system has open boundary conditions(that is, is a molecule), they will be set to include all atoms. If the system has periodic boundary conditions, then they will be set to the smallest orthorhombic cell that includes the PBC cell.
RESOLUTION Float .1 Specifies the resolution of the density accumulation in bohrs. Larger resolutions will save on memory and the surfaces will look smoother, although the smooth_cube utility will also improve the appearance of isosurfaces.
UP Flag off Plot only the spin up electrons
DOWN Flag off Plot only the spin down electrons
*/