> Miguel,
>
> I just made a few more modifications to the Jmol-datafiles directory,
> but I stayed away from deleting files. I don't think I really should
> have those 'privileges' since somebody once thought they were
> important enough to have them there. If that person is still active
> (s)he could remove them, or one of the project administrators could
> remove them.

I will delete them.

> It turned out that some files were of an existing type, so I moved
> those in their appropriate directories.

Good.

> There were a lot of ABINT files, so I put those in their own
> directory (and added the test case for abint, with all commented out
> files to test.... :-)). It seems like it may have been a format that
> was once supported?

Perhaps. But no one has asked about it for at least 3 years ... so I
probably would consider it dead.

> If so we may want to keep the files so that
> somebody can start supporting this format again?

I prefer to use the file supplied by someone when they ask for file format
support.

> What is a bit worrisome is that we now have two files in the gaussian
> and jaguar directories that are not properly parsed (see the
> commented out files in the TestSmarterJmolAdapter...

I thought that you were the Gaussian expert :-)

> Finally a comment. I am a bit surprised that when I read a file that
> Jmol has issues with (e.g. one of the two jaguar files) Jmol seems to
> stop being able to read anything. I am not sure whether that is the
> proper behavior...

That is wrong.

There must have been some incorrect changes introduced in the
SmarterModelAdapter that are problems.

There should be a general 'catch' statement that will catch all exceptions.


Miguel



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