newville / ifeffit Goto Github PK

The homepage of this GitHub project, as well as URLs embedded in the source code in many places, refer to:

http://cars9.uchicago.edu/ifeffit/

The server does not respond to http. It does respond to https so the URLs should be changed from http to https everywhere they appear.

In addition, the administrators of the server should be contacted to ask them to provide a redirect from http to https so that old links such as these are not broken.

rdinp.f should be altered to use getcom.f from feffit/autobk so that feff's input file can use "include files"

F90's derived types (data structures) should be used to reduce the need for common blocks (especially those that span "modules") and to more readily convey complicated data:

1. polarization data
2. potentials info (ph(,,) + il0, etc)
3. concept of Atom (iz, ipot, x, y, z, label)
4. concept of Path (reff, rnorman, deg, array of Atoms, complex k, complex chi)

This git repository contains three tags: 1.2.final, 1.2.12, and 1.2.13. They all point to the same commit which seems wrong. They all point to the latest commit in this repository (83b3455) which seems wrong. I see no evidence that a version 1.2.13 ever existed given that files src/lib/sys.h, src/win32/sys.h, src/win32/lib_Makefile, and ChangeLog all state the version is 1.2.12.