Test implementation: Shift-and-invert parallel spectral transformation eigensolver

Registered by Fabiano Corsetti on 2016-04-05

Link SIESTA to an external solver library implementing the shift-and-invert parallel spectral transformation (SIP) method, described here:

http://onlinelibrary.wiley.com/doi/10.1002/jcc.24254/full

This also depends on the SLEPc/PETSc library.

Blueprint information

Status:
Not started
Approver:
Alberto Garcia
Priority:
Medium
Drafter:
Fabiano Corsetti
Direction:
Approved
Assignee:
Fabiano Corsetti
Definition:
New
Series goal:
None
Implementation:
Unknown
Milestone target:
None

Sprints

Whiteboard

I suggest that you include preprocessor statements for the usage of this library. An additional dependency such as PETSC/SLEPC should be able to be out-lined. (I suggest -DSIESTA__SLEPC, which then _implicitly_ infers -DSIESTA__PETSC, note the 2 underscores)

(?)

Work Items

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