GVigne
GVigne
This is a followup of [this issue](https://github.com/JuliaLang/julia/issues/35543). Recently I have had the need to get the "base type" of a type, ie to strip type parameters from type. It seems...
Hello, I'm trying to parallelize a code making use of BlockArrays. For this, I am using CUDA, and its array type CuArrays. However, I've noticed a strange behaviour when running...
This is a work in progress and probably shouldn't be merged immediately into DFTK. As part of my GSoC (you can see some additional information [here](https://summerofcode.withgoogle.com/programs/2022/projects/GSUS0kxC) ), I am working...
**Is your feature request related to a problem? Please describe.** I would like to be able to compute the eigenvectors and eigenvalues a matrix which can either hold floats or...
**Is your feature request related to a problem? Please describe.** I would like to be able to use [LinearAlgebra's 3 arguments `dot` ](https://docs.julialang.org/en/v1/stdlib/LinearAlgebra/#LinearAlgebra.dot-Tuple{Any,%20Any,%20Any})function to be able to do compute the...
**Describe the bug** Equality check with LinearAlgebra's identity matrix `I` fails due to scalar indexing. **To reproduce** The Minimal Working Example (MWE) for this bug: ```julia julia> using LinearAlgebra julia>...
This PR is a followup of [this one](https://github.com/JuliaMolSim/DFTK.jl/pull/711), which implements GPU compatibility for LOBPCG. If you have any questions/remarks as to how LOBPCG works, please refer to this other PR....
Hi, I ran into some strange behaviors when taking a look at the timer when running multi-threaded computations. More specifically, the number of application of the local and kinetic terms...
Hi! Since the first time we discussed about the implementation of the LOBPCG algorithm (#246), we (and by that I mean @mfherbst and @antoine-levitt) have made some improvements on the...
Following @antoine-levitt's advice, here is a short TODO list of additional features worth implementing for GPUs. Short term (see also https://github.com/JuliaMolSim/DFTK.jl/issues/794) - [x] CI (see #796 ) - [ ]...