bad basis file name in windows

[kumrud]

Basis files 3-21g++g*.nwchem is not windows friendly.

[matt-chan]

What's the problem? Do windows extensions have to be 3 letter?

On Mon, Mar 27, 2017, 12:44 PM kumrud ***@***.***> wrote: Basis files 3-21g++g*.nwchem is not windows friendly. — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#214>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AA_-NcODgzq8CCBmMVGj199QIVQZ3pT_ks5rqBGhgaJpZM4Mqu8D> .

-- Matt

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[kumrud]

I think the files with * are forbidden in windows.

[PaulWAyers]

I think that they should be recalled things like 3-21g++g(d).nwchem
(d) = 1 star
(d,p) = 2 star

The "" and "**" notation for basis sets is deprecated anyway, because there is no way to write things like 6-6-311++(2df,2pd) with "" unless one wants some sort of strange Morse-code-like notation 6-311++-- which is really not the way to go (not that it hasn't been tried).

[sfias]

yeah, I just installed Horton using bash on ubuntu on windows, and some tests fail because of this. As Kumru mentioned, * is forbidden in filenames in Windows, so e.g. "6-31g*.nwchem" isn't recognized (and can't even be unzipped)... I think 6-31g(d) and 6-31g(d,p) instead of 6-31g* and 6-31g** should work... I can try and see if it works (of did you look at it, @kumrud ?). It's only for the filenames anyway. Inside the code 6-31g* can still be used...

[PaulWAyers]

The * in basis sets is deprecated now anyway. One should use the (d,p) notation.