Version of Gaussian Datatypes

[addman2]

What version of GDT was used in those examples. I can see basissets are using to_qp method which is not available in orig repo.

[q-posev]

Long time ago I used your fork of GDT and even submitted a PR which contains to_qp method but the PR has been ignored ever since ;-)

[addman2]

I see, so with your fork it should work right? I will try to push for the PR to be accepted

[q-posev]

@addman2 I saw that you merged my to_qp PR in your fork, but it went into a random branch tolerence something. Do you want to submit a PR to the upstream GDT repo from AiiDA people to put the work you did (and to_qp method) there?

[addman2]

Actually, I would like re-do everything I did to GDT and then I would try to PR everything. Actually it is on my to-do list for next week.