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All assigned blueprints Assigned blueprints
Extend the use of refcounted data structures
for Siesta
Reference-counted data structures and containers are used sparingly in the current version. More data structure templates should be implemented to extend their use. We can make it into a library.
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Distributed diagonalization on orb+k+spin
for Siesta
Implementation of distributed diagonalization on orbitals+k-points+spin degrees.
This will implement a new parallelization of the diagonalization routines for increase efficiency for many k-points, for example.
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Check ESM model inclusion
for Siesta
Implement ESM model (with accept from original authors).
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