e3x.config.Config

class e3x.config.Config[source]

Static class for storing global configuration options for e3x.

cartesian_order: Whether operations assume irreps are stored in Cartesian order or not by default.

use_fused_tensor: Whether modules that internally need tensor products use FusedTensor or Tensor for computing the tensor product by default.

normalization: Which normalization is assumed for the spherical harmonics by default.

spherical_harmonics_cache: Path to disk cache with coefficients for computing spherical harmonics.

wigner_d_cache: Path to disk cache with coefficients for converting rotation matrices to Wigner-D matrices.

tensor_conversion_cache: Path to disk cache with tensor conversion coefficients.

static set_cartesian_order(cartesian_order=True)[source]

Sets the value of Config.cartesian_order.

Parameters:: cartesian_order (bool, default: True) – New value for Config.cartesian_order.
Return type:: None

static set_clebsch_gordan_cache(path=None)[source]

Sets the value of Config.clebsch_gordan_cache.

Parameters:: path (Union[str, PathLike, None], default: None) – Path to disk cache for saving/loading Clebsch-Gordan coefficients.
Return type:: None

static set_normalization(normalization='racah')[source]

Sets the value of Config.normalization.

Parameters:: normalization ({'4pi', 'orthonormal', 'racah', 'schmidt'}, default: 'racah') – New value for Config.normalization.
Raises:: ValueError – If normalization has an invalid value.
Return type:: None

static set_spherical_harmonics_cache(path=None)[source]

Sets the value of Config.spherical_harmonics_cache.

Parameters:: path (Union[str, PathLike, None], default: None) – Path to disk cache for saving/loading spherical harmonics coefficients.
Return type:: None

static set_tensor_conversion_cache(path=None)[source]

Sets the value of Config.tensor_conversion_cache.

Parameters:: path (Union[str, PathLike, None], default: None) – Path to disk cache for saving/loading tensor conversion coefficients.
Return type:: None

static set_use_fused_tensor(use_fused_tensor=False)[source]

Sets the value of Config.use_fused_tensor.

Parameters:: use_fused_tensor (bool, default: False) – New value for Config.use_fused_tensor.
Return type:: None

static set_wigner_d_cache(path=None)[source]

Sets the value of Config.wigner_d_cache.

Parameters:: path (Union[str, PathLike, None], default: None) – Path to disk cache for saving/loading coefficients for converting rotation matrices to Wigner-D matrices.
Return type:: None