Skip to content

[REQUEST] Support interface to C++ integral libraries #112

Description

@wilhadams

Is your feature request related to a problem? Please describe.
For standard integrals, it would be beneficial to support fast C++ libraries, which will likely remain faster than gbasis regardless of any optimizations we make.

Additional context

There are many possible libraries: libint2, libcint, libmint, libreta, ...

Psi4Numpy uses libmints to access the libint library

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

Labels

enhancementNew feature or request

Type

No type

Projects

No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions