#9 Problem in assigning activation energie in grid search mode

[Chi-Hsiu Liang]

The current build has a problem in assigning ILT activation energies under grid search mode. If user give a range to the activation energy in grid search mode, the program returns an error saying "There is only one point for this varaible." and ask to remove the range.

I guess this is due to changes made after the creaction of DPoint class, but I am not very sure what the problem is. This should be easy to resolve but I need to focus on getting the LogExp class work first.

I will look at this problem in a few days if no one else has time to look at it.

[Chris Morley]

I can look at this.
Have you a data file that shows the problem?
Chris

[Chi-Hsiu Liang]

[Chi-Hsiu Liang]

I have uploaded the example file here. It's simply a modification to the input file of Acetyl_O2_association.xml

Please have a look.

Thanks Chris!!

[Chris Morley]

Problem was floating point rounding errors. Fixed (with other related mods) in r415