Use BOAST convolutions inside BigDFT
Registered by
Thierry Deutsch
Instead of developing and optimizing our own convolutions routines, the goal is to use BOAST to generate the convolutions automatically for different boundary conditions (as wire).
Blueprint information
- Status:
- Complete
- Approver:
- Luigi Genovese
- Priority:
- Medium
- Drafter:
- Thierry Deutsch
- Direction:
- Needs approval
- Assignee:
- Brice Videau
- Definition:
- Approved
- Series goal:
- None
- Implementation:
-
Implemented
- Milestone target:
- None
- Started by
- Thierry Deutsch
- Completed by
- Luigi Genovese
Related branches
Related bugs
Sprints
Whiteboard
This blueprint can be started as soon as the orbital_basis implementation is ready to be used in the code, at least for the charge density and the hamiltonian
(?)
Work Items
Work items:
Discuss and validate the API for the convolution routines: DONE
Modify high-level BigDFT routines to wrap the API of libconv: DONE
Define reference versions of the convolutions: DONE
Release automatically generated versions of the routines: DONE
Integrate in a separate library: DONE
Dependency tree
* Blueprints in grey have been implemented.
