Fully-featured Poisson Solver
This blueprint corresponds to the release of the version of the Standalone Poisson solver able to support non-orthorhombic calculation
Blueprint information
- Status:
- Started
- Approver:
- Luigi Genovese
- Priority:
- Undefined
- Drafter:
- Luigi Genovese
- Direction:
- Needs approval
- Assignee:
- Giuseppe
- Definition:
- Approved
- Series goal:
- Accepted for 1.8
- Implementation:
-
Beta Available
- Milestone target:
- None
- Started by
- Luigi Genovese
- Completed by
Related branches
Related bugs
Sprints
Whiteboard
This release should integrate and stabilise the API of the solver section. All the developments which have been done and released in the recent years should be tested with rigorous non-regression tests
Work Items
Work items:
Check the current status of the solver within BigDFT: DONE
Define exhaustive non-regression test for orthorhombic cells: DONE
Identify previous tests of non-orthorhombic cells and validate them: DONE
Change the infrastructure of the solver to unify the tests: DONE
Generalise the API to implicit solvent forrmalism: DONE
Provide doxygen documentation of the high-level solver routines: TODO
Provide release of the Solver with reliable non-regression tests: DONE
Dependency tree
* Blueprints in grey have been implemented.
