Implementation of Siesta + Psolver from BigDFT

Registered by Pablo Lopez on 2018-06-04

The default solver calling to solve the Poisson equation of the Hartree potential is changed to use the libPSolver-1.a from the BigDFT package. It allows -among others- faster calculations for isolated systems.

Blueprint information

Status:
Started
Approver:
None
Priority:
Undefined
Drafter:
Pablo Lopez
Direction:
Needs approval
Assignee:
Pablo Lopez
Definition:
New
Series goal:
None
Implementation:
Started
Milestone target:
None
Started by
Pablo Lopez on 2018-09-20

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Whiteboard

It could also be interesting to explore the dl_mg library which could work equally well.
https://ccpforge.cse.rl.ac.uk/gf/project/dl-mg/

(?)

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