We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 3b8836e commit e9a03bdCopy full SHA for e9a03bd
src/w90io/_schema.py
@@ -30,7 +30,7 @@ class Atom(pydantic.BaseModel):
30
31
class Atoms(pydantic.BaseModel):
32
units: typing.Optional[str]
33
- atoms: typing.List[Atoms]
+ atoms: typing.List[Atom]
34
35
36
class Projections(pydantic.BaseModel):
@@ -51,7 +51,8 @@ class WIN(pydantic.BaseModel):
51
parameters: dict
52
blocks: dict
53
unit_cell_cart: typing.Optional[UnitCell]
54
- # atoms_frac: Atoms
+ atoms_frac: typing.Optional[Atoms]
55
+ atoms_cart: typing.Optional[Atoms]
56
projections: Projections
57
kpoints: Kpoints
58
0 commit comments