Jarvist Moore Frost
Jarvist Moore Frost
I see no problem with this, as long as there is a suitable scholarly discussion to put the citations in context. Certainly it's useful for a potential user of the...
@erikkjellgren @wcwitt , how are your reviews coming along?
'primitive implementation'?! 😱
More importantly, how are you going to improve on the Dalek-esque soundtrack? https://www.youtube.com/watch?v=7UoPgFJcRoI
Multiple q-points: I'm not sure if there's much point to combining them within one visual, as it all averages out (due to the random phases) once you start combining different...
Sorry Lucy, our comments crossed in the aether. I guess my perspective is that it's easier to directly use the eigenvectors/eigenvalues, and that these contain all the information that there...
Did some more work on my codes, implementing arbitrary phase factors within the BZ, and visualising the MAPI conflation above, but now also with a BZ acoustic tilt mode. https://www.youtube.com/watch?v=bzPqlh0ui8k&feature=youtu.be
Add docs on downloading new QCFractal datasets (or including your own) and building new force fields
This would be super useful for us. We'd like to extend Espaloma to organic electronic materials (where we otherwise spend a lot of time patching OPLS or similar to include...