I used trnset2ASCII.x to transform TiO2.train into a readable file. > This figure shows a part of the produced file. > > [image: Screenshot 2023-10-15 040828.png] > >

The tool trnset2ASCII.x (included with ænet) can convert training set files to a text format that can be parsed more easily. You can find further guidance in the mailing list archives

use the trnset2ASCII.x tool to convert into readable format and plot. It has been discussed in the group earlier. Please check it if you are having difficulty. Vaidish On Friday, August

using the trnset2ASCII.x to analyze the fingerprint values. I am a little confused about the values. (I am attaching a part of the output file here - out2.txt) Since the trnset2ASCII

crash $ trnset2ASCII.x test.train test.ascii $ trnset2ASCII.x --to-binary test.ascii test2.bin Please use either the attached version of 'trainset.f90' or download

> > trnset2ASCII.x --raw file.train OUT.txt > > The OUT.txt file contain all the information needed, i suppose that the SF > values are order in the same position that

converter "trnset2ASCII" only works > for training set files (*.scaled), but not yet for the potential files. We > do not have any tool to convert potentials yet.