From d28fe3c1efc98d0dbdf6798e5a93dd5c38f0f17c Mon Sep 17 00:00:00 2001 From: Hermann Schnait Date: Wed, 9 Mar 2022 12:23:54 +0100 Subject: [PATCH] Update Changelog --- doc/ChangeLog.md | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/doc/ChangeLog.md b/doc/ChangeLog.md index 2784b12c..b4c2ce17 100644 --- a/doc/ChangeLog.md +++ b/doc/ChangeLog.md @@ -22,6 +22,13 @@ DFTTools Version 3.1.0 is a release that * update documentation of W90 Converter * bugfix: This fix makes the function find_rot_mat() safer to use in case there are errors in finding the correct mapping. The converter will now abort if the agreement in mapping is below a user-definable threshold. +### Change in gf_struct +* In line with TRIQS 3.1.x, the form of the Green's function's structure (`gf_struct`) has been modified +* Instead of `gf_struct = [("up", [0, 1]), ("down", [0, 1])]`, the new convention uses `gf_struct = [("up", 2), ("down", 2)]` +* This modifies the form of `gf_struct_solver` (and `sumk`) in `block_structure` and `SumkDFT` as well. +* Backwards-compatibility with old, stored `block_structure` objects is given, however a warning is issued. +* A helper-function `block_structure.gf_struct_flatten(...)` is provided to manually bring `gf_struct`s to the new form. + ### Documentation * change to read the docs sphinx theme * clean up various doc files