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Diffstat (limited to 'libraries/libXCFun/README')
| -rw-r--r-- | libraries/libXCFun/README | 5 |
1 files changed, 5 insertions, 0 deletions
diff --git a/libraries/libXCFun/README b/libraries/libXCFun/README new file mode 100644 index 0000000000000..85296962b7dc7 --- /dev/null +++ b/libraries/libXCFun/README @@ -0,0 +1,5 @@ + XCFun is a library of exchange-correlation (XC) functionals to be +used in density-functional theory (DFT) codes. XCFun follows a unique +implementation strategy which enables the computation of derivatives +of the XC functional kernel up to arbitrary order. It does so by +relying on forward-mode automatic differentiation. |