This module reads the grid data of a MOPAC electrostatic
potential file and generaters a uniform Explorer lattice. The
MOPAC program was modified at Imperial College by Dr. Stuart M.
Green to output a uniform ESP grid.
Port: File Name
Input filename of MOPAC ESP file.
The grid spacing, specified in the MOPAC input file by the keyword
Output of a uniform Explorer lattice.
Missing points within the lattice are assigned a value of 0.0
rather than being ignored. If the selected Grid spacing does
not corresponds to the MOPAC GRID value, the module's output
will be incorrect or it might actually die.
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© The Numerical Algorithms Group Ltd,
Oxford UK. 1996