Antoine Levitt
Antoine Levitt
cc @LaurentVidal95 Elastic constants appear to work more or less out of the box (with one fix), we should probably fix and advertise them in an example. It does take...
@epolack and @LaurentVidal95 need support for multicomponent (psi(x) is a vector) for twisted bilayer graphene It would also be nice to have for - non collinear spin - solving maxwell...
This is a writeup of a discussion with @eric-cances. Let me prefix this by saying that this would imply a major rewrite of DFTK, add a major layer of complexity...
At least currently I don't think our code is better than forwarddiff, so let's just delete it? If we get around to implementing optimizations for many atoms, we can just...
 ```julia using DFTK using Downloads using PyPlot # Here, we will use Perdew-Wang LDA PSP from PseudoDojo URL_UPF = "https://raw.githubusercontent.com/JuliaMolSim/PseudoLibrary/main/pseudos/pd_nc_sr_lda_standard_04_upf/Li.upf" # We load the HGH and UPF PSPs using...
Great package! As far as I understand it provides the information needed to locate an application on the roofline model but finding the info without screwing up feels a bit...
See https://github.com/JuliaLang/julia/pull/54114 I'd like it to support `@typeconst x = 3.1; @typeconst x = 3`, as well as `x = 2; @typeconst x=3.2`, but this requires figuring out if x...
Run julia-repl. Switch to line mode. Press enter repeatedly. Every time enter is pressed, an extra newline is created after the point, with the effect that after a while the...