Skip to content

Commit

Permalink
Doc fix.
Browse files Browse the repository at this point in the history
  • Loading branch information
shyuep committed Jun 12, 2024
1 parent cc663cc commit 884ca5c
Showing 1 changed file with 6 additions and 5 deletions.
11 changes: 6 additions & 5 deletions pymatgen/core/composition.py
Original file line number Diff line number Diff line change
Expand Up @@ -860,11 +860,12 @@ def add_charges_from_oxi_state_guesses(
element's common oxidation states, e.g. {"V": [2, 3, 4, 5]}
target_charge (float): the desired total charge on the structure.
Default is 0 signifying charge balance.
all_oxi_states (bool): If True, an element defaults to
all oxidation states in pymatgen Element.icsd_oxidation_states.
Otherwise, default is Element.common_oxidation_states. Note
that the full oxidation state list is *very* inclusive and
can produce nonsensical results.
all_oxi_states (bool): if True, all oxidation states of an element, even rare ones, are used in the search
for guesses. However, the full oxidation state list is *very* inclusive and can produce nonsensical
results. If False, the icsd_oxidation_states list is used when present, or the common_oxidation_states
is used when icsd_oxidation_states is not present. These oxidation states lists comprise more
commonly occurring oxidation states and results in more reliable guesses, albeit at the cost of
missing some uncommon situations. The default is False.
max_sites (int): If possible, will reduce Compositions to at most
this many sites to speed up oxidation state guesses. If the
composition cannot be reduced to this many sites a ValueError
Expand Down

0 comments on commit 884ca5c

Please sign in to comment.