New features on the Poisson solver

Registered by Pedro Brandimarte on 2016-11-22

New developments on the Poisson solver:
- Coulomb cutoff on systems with low dimensionality;
- different approaches for treating the singularities at the integrals performed on reciprocal space;
- non-periodic boundary conditions with padding FFT;
- non-periodic boundary conditions combining 1D or 2D FFT with finite differences at non periodical dimensions.

Blueprint information

Status:
Started
Approver:
None
Priority:
Undefined
Drafter:
Pedro Brandimarte
Direction:
Needs approval
Assignee:
Pedro Brandimarte
Definition:
Drafting
Series goal:
Proposed for trunk
Implementation:
Started
Milestone target:
None
Started by
Pedro Brandimarte on 2016-11-22

Whiteboard

Implement the ESM model into the different Poisson solvers (Green function technique for di-electric).
See branch: https://code.launchpad.net/~nickpapior/siesta/esm

(?)

Work Items

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