atomate2.forcefields.utilsΒΆ
Utils for using a force field (aka an interatomic potential).
Functions
Create an ASE calculator from a given set of metadata. |
|
Context manager for torch.default_dtype. |
Classes
bool(x) -> bool |
Utils for using a force field (aka an interatomic potential).
Functions
Create an ASE calculator from a given set of metadata. |
|
Context manager for torch.default_dtype. |
Classes
bool(x) -> bool |