pele.utils.hessian.make_sparse(hess, **kwargs)[source]

return a sparse form of the hessian using scipy.sparse

this function returns the hessian in compressed sparse column (CSC) form

Advantages of the CSC format:
  • efficient arithmetic operations CSC + CSC, CSC * CSC, etc.
  • efficient column slicing
  • fast matrix vector products (CSR, BSR may be faster)
Disadvantages of the CSC format:
  • slow row slicing operations (consider CSR)
  • changes to the sparsity structure are expensive (consider LIL or DOK)

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