qimpy.math

Math functions extending the core torch set.

Functions

`prime_factorization`	Get list of prime factors of N in ascending order
`fft_suitable`	Check whether N has only small prime factors.
`ceildiv`	Compute ceil(num/den) with purely integer operations
`cis`	Compute complex exponential exp(i x).
`abs_squared`	Compute absolute value squared of complex or real tensor.
`dagger`	Conjugate transpose of a batch of matrices.
`accum_norm_`	Accumulate \(f \|x\|^2\) to out in-place.
`accum_prod_`	Accumulate \(f x y\) to out in-place.
`ortho_matrix`	Return orthonormalization matrix of a basis.
`eighg`	Solve Hermitian generalized eigenvalue problem.

Classes

Set of radial functions in real and reciprocal space.

Modules

`qimpy.math.spherical_harmonics`	Calculate spherical harmonics and their product expansions.
`qimpy.math.spherical_bessel`	Calculate spherical Bessel functions.
`qimpy.math.quintic_spline`	Generate and evaluate quintic (fifth-order) splines.