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48 POLYNOMIAL REPRESENTATIONS (POLY)

POLY,options

The POLY program allows for the transformation of the potential energy surface and dipole surfaces from a grid representation to a polynomial representation. Once a polynomial representation has been chosen, the corresponding VSCF, VCI or VMP2 programs need to be selected (see below). The POLY program is fully parallelized in terms of the MPPX scheme.



Subsections

molpro@molpro.net 2012-02-09