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README.md

Feff8L

DOI

Feff8L: Open Source theoretical EXAFS calculations

Based on or developed using Distribution: FEFF8.5L Copyright (c) [2013] University of Washington

  • The goals of this project are discussed on the wiki.

  • This project is sometimes called Feff8L or Feff85exafs. The "L" implies "Lite" (as in diluted beer, not illumination), "85" comes from the version of Feff (8.5) that this version is derived from, and "exafs" is because this version is used to calculate EXAFS only -- not XANES or other core-level spectroscopies. Using either Feff8L or feff85exafs or some combination of these is fine with us.

  • Build and Installation instructions are given in INSTALL.md, with more details in src/README.md .

  • There are extensive tests for Feff8L in the tests directory. To run these, you will need Larch

  • Example programs using the fortran entry point to the stand-alone F_eff calculations or programs using the C wrapper can be found in the wrappers/ directory. There you will also find language bindings to the C wrapper, including python and perl.