libxc

Here are 3 public repositories matching this topic...

High-Performance configuration patterns and recipes.

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

Exchange correlation functionals translated from libxc to jax

python density-functional-theory libxc jax

Julia bindings to the libxc library for exchange-correlation functionals

Add a description, image, and links to the libxc topic page so that developers can more easily learn about it.

To associate your repository with the libxc topic, visit your repo's landing page and select "manage topics."