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blacken-docs index.md
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janosh committed Aug 3, 2023
1 parent 6d1ffa4 commit 2f5896a
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231 changes: 113 additions & 118 deletions docs/index.md

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6 changes: 3 additions & 3 deletions pymatgen/core/molecular_orbitals.py
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Expand Up @@ -25,9 +25,9 @@ class MolecularOrbitals:
The atomic orbital energies are stored in pymatgen.core.periodic_table.JSON
>>> MOs = MolecularOrbitals('SrTiO3')
>>> MOs.band_edges
{'HOMO':['O','2p',-0.338381], 'LUMO':['Ti','3d',-0.17001], 'metal':False}
MOs = MolecularOrbitals('SrTiO3')
MOs.band_edges
# gives {'HOMO':['O','2p',-0.338381], 'LUMO':['Ti','3d',-0.17001], 'metal':False}
"""

def __init__(self, formula):
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4 changes: 2 additions & 2 deletions pymatgen/io/abinit/abiobjects.py
Original file line number Diff line number Diff line change
Expand Up @@ -286,8 +286,8 @@ def structure_to_abivars(structure, enforce_znucl=None, enforce_typat=None, **kw

def contract(s):
"""
>>> assert contract("1 1 1 2 2 3") == "3*1 2*2 1*3"
>>> assert contract("1 1 3 2 3") == "2*1 1*3 1*2 1*3".
assert contract("1 1 1 2 2 3") == "3*1 2*2 1*3"
assert contract("1 1 3 2 3") == "2*1 1*3 1*2 1*3"
"""
if not s:
return s
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