2022-09-04
Added
- Simple irreps indexing of
IrrepsArray
: likex[..., "10x0e"]
but notx[..., "0e + 1e"]
e3nn.concatenate, e3nn.mean, e3nn.sum
e3nn.norm
forIrrepsArray
e3nn.tensor_product
e3nn.normal
- Better support of
+ - * /
operators forIrrepsArray
- Add new operator
e3nn.grad
: it takes anIrrepsArray -> IrrepsArray
function and returns aIrrepsArray -> IrrepsArray
function - Add support of operator
IrrepsArray ** scalar
- Add support of
x[..., 3:6]
forIrrepsArray
- Add
e3nn.reduced_tensor_product_basis
- Add
e3nn.stack
Removed
IrrepsArray.cat
is now deprecated and replaced bye3nn.concatenate
e3nn.full_tensor_product
is now deprecated and replaced bye3nn.tensor_product
e3nn.FullyConnectedTensorProduct
is now deprecated in favor ofe3nn.tensor_product
ande3nn.Linear
- breaking change remove
IrrepsArray.from_any
- breaking change remove option
optimize_einsums
, (it is now alwaysTrue
)
Changed
- breaking change rewrite the
equivariance_error
andassert_equivariant
functions
Full Changelog: 0.8.0...0.9.0