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The TABLE File

The TABLE file provides an alternative way of reading in the short range potentials - in tabular form. This is particularly useful if an analytical form of the potential does not exist or is too complicated to specify in the FORGEN subroutine. The table file is read by the subroutine FORTAB (see chapter 8).

The option of using tabulated potentials is specified in the FIELD file (see above). The specific potentials that are to be tabulated are indicated by the use of the tab keyword on the record defining the short range potential (see table 4.12). The directive vdwtable may be used in place of vdw to indicate that one or more of the short ranged potentials is specified in the form of a table.



Subsections

W Smith 2003-05-12