xcfun
XCFun is a library of exchange-correlation (XC) functionals to be used in density-functional theory (DFT) codes.
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Source Files
| Filename | Size | Changed |
|---|---|---|
| xcfun-2.1.1.tar.gz | 0000174870 171 KB | |
| xcfun.changes | 0000001445 1.41 KB | |
| xcfun.spec | 0000002145 2.09 KB |
Latest Revision
andy great (andythe_great)
committed
(revision 17)
- Update to version 2.1.1.
* The SCAN functionals were affected by numerical issues with
small gradient values.
* The installation of header files, CMake export files, and the
Python module was also fixed. Mostly relevant for the Conda
package.
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