InterpolatedPartitionFunction

To generate partition functions from an externally provided table of values (such as those provided by HITRAN) add an "InterpolatedPartitionFunction" object at the molecule level. Provided the active property is set then, when requiring partition functions, PGOPHER will interpolate from the provided table, rather than attempting a sum over all calculated levels. Unless several ground state vibrational levels are included in the calculation, this approach is likely to be necessary for full accuracy in absolute intensities. To load the table, right click on the object in the tree view and select "Import..."; a simple text file is expected with two values on each line, the temperature (K) and the corresponding value of the partition function. On loading the file you will normally be prompted to select the columns containing the temperature (T) and partition function values, Q.