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@@ -38,12 +38,10 @@ | |
HAS_PY3DMOL = False | ||
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__author__ = ["Beatriz G. Foschiani", "Mauro Rovezzi"] | ||
__email__ = ["[email protected]", "[email protected]"] | ||
__credits__ = ["Jade Chongsathapornpong", "Marius Retegan"] | ||
__version__ = "2023.2.0" | ||
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__version__ = "2023.3.0" | ||
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# initialize the logger | ||
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@@ -96,6 +94,7 @@ def xyz2struct(molecule): | |
struct = Structure(lattice, species, coords, coords_are_cartesian=True) | ||
return struct | ||
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def structure_folders(): | ||
""" | ||
return folders under USER_LARCHDIR for FDMNES, Feff, and structure files, | ||
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