A Bit of a background before I go deeper into this post:

I would like to use ASE a Python library for molecular dynamics. I recently ran into trouble setting up GPAW, and I would like to know whether it would be an appropriate question to ask on the Chemistry Stack exchange, on the Physics one, or somewhere else entirely. My problem has to do with setting up and install GPAW, so it is not a chemistry question at all, but I wonder if any of the computational physical chemists here could (and would be willing to help).

Thanks for the direction.


1 Answer 1


Thanks for asking here before posting. Unfortunately it's probably off-topic since it isn't exactly chemistry-related. In fact, it probably wouldn't go over well on any of the Stack Exchange sites (Stack Overflow, Unix & Linux, Superuser, ...). I can't remember where the relevant posts are, but I think it was decided that installation-type questions would be closed, but problems using software or interpreting results are on-topic. Note that I am not defending this position, just stating what it currently is.

The current recommendation is to bring these kinds of questions to the chat room, where you may or may not get an answer. If you find someone there who can help, a one-on-one chat room can be created too.

  • $\begingroup$ You can also start asking here, maybe, the installation doesn't sound too difficult... $\endgroup$ May 16, 2017 at 2:32
  • $\begingroup$ Not really knowing what tose libraries are, the question could potentially be on-topic at scicomp.stackexchange.com $\endgroup$ May 16, 2017 at 2:34
  • $\begingroup$ I know what they are and it will get closed. They will say to ask on the ASE or GPAW mailing lists. $\endgroup$ May 16, 2017 at 2:36
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    $\begingroup$ @Martin-マーチン <nod>, Scicomp.SE seems pretty tightly focused on algorithms and implementations. $\endgroup$
    – hBy2Py
    May 16, 2017 at 3:21
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    $\begingroup$ Thanks guys. Just wanted to test the waters. I will see if I can ask on the mailing lists. $\endgroup$ May 16, 2017 at 3:52

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