Pull requests: JuliaMolSim/DFTK.jl
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Fix compute_fermi_level for FermiZeroTemperature and collinear spins
#928
opened Dec 12, 2023 by
ClementineBarat
•
Draft
Multicomponents
breaking
Breaks public API and requires major version bump
#851
opened Apr 20, 2023 by
epolack
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1 task
CompatHelper: bump compat for PseudoPotentialIO to 0.2, (keep existing compat)
#836
opened Mar 21, 2023 by
github-actions
bot
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WIP: Filter the symmetries when using ForwardDiff
#819
opened Feb 10, 2023 by
antoine-levitt
•
Draft
Change internal fixed-point API to (x, info) = f(x, info) to simplify SCF metadata tracking
#811
opened Jan 12, 2023 by
epolack
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Update constructor for positions and lattice in Model and basis
#675
opened Jun 28, 2022 by
mfherbst
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