pele.utils.hessian.make_sparse

pele.utils.hessian.make_sparse(hess, **kwargs)

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)