libxc

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Exchange correlation functionals translated from libxc to jax

python density-functional-theory libxc jax

High-Performance configuration patterns and recipes.

package-manager build recipe intel libint compile libxc quantum-espresso configure cp2k elpa hpc-applications libxsmm

Julia bindings to the libxc library for exchange-correlation functionals

Exchange–correlation (XC) functionals for density-functional theory (DFT) in pure Rust

rust dft computational-chemistry quantum-chemistry libxc

Prebuilt ABINIT + LibXC Docker image (serial CPU) — compiled from upstream sources. Base layer for runners, CI, and reproducibility.

docker dft libxc materials-science abinit ghcr

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