4603295
doi
10.5281/zenodo.4603295
oai:zenodo.org:4603295
Antoine Levitt
gkemlin
ssirajdine
Deeptendu Santra
Eric Berquist
Q-Chem
Gaurav Wasnik
Louis Ponet
Niklas Schmitz
tzsuzsi
JuliaMolSim/DFTK.jl: v0.2.7
Michael F. Herbst
ACoM, RWTH Aachen University
url:https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.7
info:eu-repo/semantics/openAccess
Other (Open)
DFTK v0.2.7
<p><a href="https://github.com/JuliaMolSim/DFTK.jl/compare/v0.2.6...v0.2.7">Diff since v0.2.6</a></p>
<p><strong>Closed issues:</strong></p>
<ul>
<li>Integrate with Xtals.jl (#389)</li>
<li>dVol as a field (#414)</li>
<li>Pymatgen namespaces change v2022.0.0 (#418)</li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Do a Rayleigh-Ritz at the end of direct minimization (#411) (@antoine-levitt)</li>
<li>Fix GGA non-spin-polarised XC kernel (#412) (@mfherbst)</li>
<li>Replace ForwardDiff by manual forces (#415) (@niklasschmitz)</li>
<li>CompatHelper: bump compat for "Polynomials" to "2.0" (#416) (@github-actions[bot])</li>
<li>Suppress conditional package load warnings (#419) (@mfherbst)</li>
</ul>
Zenodo
2021-03-13
info:eu-repo/semantics/other
3541724
v0.2.7
1692349003.628008
563366
md5:a18a77c6d43b8dbf1c74ad172c1998b8
https://zenodo.org/records/4603295/files/JuliaMolSim/DFTK.jl-v0.2.7.zip
public
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.7
Is supplement to
url
10.5281/zenodo.3541724
isVersionOf
doi