Speed up construction of the ClebschGordanProduct
class and introduce a high default for param max_angular
.
#326
Labels
Python
Issues related to the Python API
Currently, construction of a
ClebschGordanProduct
object involves calculation of CG coefficients withwigners
and then some processing, namely: real <-> complex conversion, reshaping into sparse/dense formats, and wrapping in metadata for storage in aTensorMap
. While the computation itself is fast, the code for processing was inherited from (very) old versions of the CG code, and is slow and scales poorly withmax_angular
. Profiling and redesign of this part of the code is required and, once faster, introduce a high default value formax_angular
(~ 30 - 50) to make usage ofClebschGordanProduct
and wrapping classes more user friendly.The text was updated successfully, but these errors were encountered: