Published November 12, 2020
| Version v2.1.1
Software
Open
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
Description
This patch release fixes two bugs:
- The SCAN functionals were affected by numerical issues with small gradient values. Spotted by @fishjojo and fixed by @JFurness1. Thank you both!
- The installation of header files, CMake export files, and the Python module was also fixed. Mostly relevant for the Conda package.
Files
dftlibs/xcfun-v2.1.1.zip
Files
(283.8 kB)
| Name | Size | Download all |
|---|---|---|
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md5:ca7849e4c55c6007e99724249fa362d3
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Additional details
Related works
- Is supplement to
- https://github.com/dftlibs/xcfun/tree/v2.1.1 (URL)