Commits

History for

Commits on Jan 15, 2022

Generalize PowerNonlinearity to LocalNonlinearity (JuliaMolSim#564 )
antoine-levitt
authored

Commits on Dec 13, 2021

Refactor ene_ops interface
mfherbst
committed

Commits on Jul 17, 2021

Allow passing Ecut as a keyword argument (JuliaMolSim#489 )
mfherbst
authored

Commits on Jul 5, 2021

newton algorithm (JuliaMolSim#433 )

authored

Commits on Apr 28, 2021

Rebase GGA collinear kernel functions
mfherbst
committed
Refactor densities

antoine-levitt
authored and
mfherbst
committed

Commits on Apr 21, 2021

Collinear spin GGA kernel (JuliaMolSim#424 )
mfherbst
authored

Commits on Feb 20, 2021

Fix GGA non-collinear kernel (JuliaMolSim#412 )
mfherbst
authored

Commits on Nov 7, 2020

Harmonise and prepend compute_ for exported names (JuliaMolSim#363 )
mfherbst
authored

Commits on Oct 10, 2020

Extend kernel functions to collinear spin
mfherbst
committed

Commits on Jun 17, 2020

Unify kernel interfaces to RealFourierArrays (JuliaMolSim#263 )
mfherbst
authored

Commits on Jun 8, 2020

Kernel harmonization (JuliaMolSim#253 )

antoine-levitt
and
mfherbst
authored

Commits on Jun 5, 2020

Update Libxc and implement Hartree and LDA-XC kernel (JuliaMolSim#248 )
mfherbst
authored

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