A full description of the most recent version of this code has been published online in J. Quant. Spectrosc. Radiat. Transfer 186, 179 (2016), which is available at http://dx.doi.org/10.1016/j.jqsrt.2016.06.002, while the corresponding source code and detailed Program Manual are available as Supplementary "Application" files at that www link. All future citations regarding use of this code should refer to this Journal Article,
A new beta version of this code that is accessible to University of Waterloo users includes a number of specialized enhancements currently under development, and is described by the modified write-up and manual dPotfit17 Manual. Noteworthy changes in this version are the introduction of a third type of damping function, the new (simpler!) Eq.(13), modifications in the manner in which the integer powers q and p defining the dimensionless radial variables of Eqs.(5) and (6) are read in (see READS #21-23), and the option for imposing a constraining relationship on the long-range Cm coefficients for different electronic states (see description of READs #16 and 17).
If you wish to be Registered with the author as
a user of this code, eligible to be sent any future
bug fixes or updates, please fill in the following form
Register dPotFit-16 Registration. Note that the ordering of the
parameter in data input Lines No. 20, 23 and 30, and the definitions of
some of the parameters in input data Line 20, have been changed from those
in earlier versions of this code. In addition, this new version uses
the 2010 values of ħ, and its atomic masses subroutine incorporates
the 2012 version of the atomic mass table.
As ever, I would be pleased to receive information regarding apparent or real malfunctions of this code or weakness in the documentation, please contact the author by e-mail: 'leroy AT uwaterloo.ca'
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