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![]() * Added a new input format for the list of ions. It is now possible to group ions (like this [1 2] [5 6]) that are considered equivalent in the solver. This has required changing the internal variable 'ion_list' to a dictionary 'ions' which can later be enhanced by other features (such as specifying ions by element name). |
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.. | ||
examples | ||
__init__.py | ||
.gitignore | ||
atm_desc.py | ||
CMakeLists.txt | ||
converter.py | ||
elstruct.py | ||
inpconf.py | ||
plotools.py | ||
proj_group.py | ||
proj_shell.py | ||
sc_dmft.py | ||
vaspio.py |