diff --git a/larch/xrd/struct2xas.py b/larch/xrd/struct2xas.py index 2411a0790..86b677a5a 100644 --- a/larch/xrd/struct2xas.py +++ b/larch/xrd/struct2xas.py @@ -38,12 +38,10 @@ HAS_PY3DMOL = False - __author__ = ["Beatriz G. Foschiani", "Mauro Rovezzi"] __email__ = ["beatrizgfoschiani@gmail.com", "mauro.rovezzi@esrf.fr"] __credits__ = ["Jade Chongsathapornpong", "Marius Retegan"] -__version__ = "2023.2.0" - +__version__ = "2023.3.0" # initialize the logger @@ -96,6 +94,7 @@ def xyz2struct(molecule): struct = Structure(lattice, species, coords, coords_are_cartesian=True) return struct + def structure_folders(): """ return folders under USER_LARCHDIR for FDMNES, Feff, and structure files,