JuliaMolSim/DFTK.jl: v0.5.10
- Michael F. Herbst
- Antoine Levitt
- Étienne Polack
- Gaspard Kemlin
- Niklas Schmitz
- Jae-Mo Lihm
- Chuin Wei Tan
- GVigne
- Gabriel Birnbaum
- Laurent Vidal
- ssirajdine
- Jeremiah DeGreeff
Publication date
October 2022
DOIAbstract
DFTK v0.5.10 Diff since v0.5.9 Closed issues: Use real FFTs (#36) Derivative in Fourier space of real function not real (#694) Reduce computation time for energy calculation (#703) Merged pull requests: Band structure for non-standard lattice, cleanup (#555) (@jaemolihm) Bump compat for MPI to 0.20 (#743) (@github-actions[bot]) Fix forces with symmetries (#744) (@antoine-levitt) Update citations (#745) (@mfherbst
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