mindchemistry.e3.o3
API Name |
Description |
Supported Platforms |
Conversion from angles to matrix. |
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Convert \((\alpha, \beta)\) into a point \((x, y, z)\) on the sphere. |
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Convert a real basis of spherical harmonics in term of complex. |
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Computes the composed Euler angles of two sets of Euler angles. |
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Elementwise connected tensor product. |
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Full tensor product between two irreps. |
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Fully-connected weighted tensor product. |
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Give the identity set of Euler angles. |
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Irreducible representation of O(3). |
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Direct sum of irreducible representations of O(3). |
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Linear operation equivariant. |
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Linear operation equivariant with option to add bias. |
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Conversion from matrix to angles. |
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Give the rotation matrices around x axis for given angle. |
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Give the rotation matrices around y axis for given angle. |
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Give the rotation matrices around z axis for given angle. |
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Norm of each irrep in a direct sum of irreps. |
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Give a random set of Euler angles. |
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Compute the so(3) Lie algebra generators. |
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Return Spherical harmonics layer. |
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Compute the su(2) Lie algebra generators. |
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Versatile tensor product operator of two input Irreps and a output Irreps, that sends two tensors into a tensor and keep the geometric tensor properties. |
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Compute the square tensor product of a tensor. |
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Wigner 3j symbols \(C_{lmn}\). |
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Wigner D matrix representation of SO(3). |
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Convert a point \(\vec r = (x, y, z)\) on the sphere into angles \((\alpha, \beta)\). |
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