v0.0.11

Support windows

v0.0.10

build for macos

v0.0.9

In this release,

• we update the functionals by using the latest autofd.
• we make the API simpler, no need to pass polarized=True/False anymore, it will be determined from whether rho returns shape () or (2,)

Experimental functional derivative

This release adds experimental support for functional derivative, currently awaiting autofd to release.
Other than this, the other functionalities are all the same as v0.0.7.

Fix the gradient contains nan bug

lax.select generates a nan in the gradient from the inactive branch, while lax.cond doesn't

Python 3.11

v0.0.5

install requirements during release

Code refactor

• Remove repetitive code
• Changed the calling API to return a functional that takes rho instead of a function that takes r.

v0.0.3

• Screen low density before calling the core functional
• Replace ** (0.1e1 / 0.3e1) with jnp.cbrt

Initial release for open source

1. python>=3.7; <=3.10
2. glibc>=2.17
3. libxc==6.0.0