DESCRIPTIONThis 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 GRID=xx.
Output of a uniform Explorer lattice.
PROBLEMSMissing 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.
SEE ALSOEyeMopac EyeMopacRxn IsosurfaceLat MopacView PrintLat
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