wfc extrapolation / MD

[simonpintarelli]

• add linear wfc extrapolation using the density projector

Changes in SIRIUS library/core:

• add an env variable SIRIUS_COREDUMP, if set call_sirius does not run in try-except block
• simulation context: return spla as shared_ptr
• md extraplation / nlcglib operators: use shared_ptr
  • Use shared_ptr for spla_context, beta-projectors. Avoid passing simulation context.
  • use shared_ptr for beta-projectors, q operator
  • shared_ptr to store Beta_projectors
• add zeros_like for mdarray
• unitary similarity transform for diagonal matrix, dia matrix helper
• workaround to call lapack ev solver without matrix instead of dmatrix
• add svd to linalg.hpp
• missing include
• fix a typo in dgmm accblas wrapper
• enable distributed wfc in nlcglib
• add wfc extrapolation to fortran api
• add dgmm (matrix-matrix product with diagonal matrix)
• kset add auto ctx() const

[simonpintarelli]

cscs-ci run default

[simonpintarelli]

cscs-ci run default