Skip to content

Python integration of KIM Fortran routines to calculate integral kernels #113

@marjohma

Description

@marjohma

Interface the fortran routines that calculate the integral kernels to a Python module. Make sure to handle the input of the routines correctly, including background calculation.

The idea is to do the heavy computational lifting in Fortran, while Python does the high level flow structure. This may require restructuring in KIM. But, the Fortran code should be still usable in standalone mode.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions