Skip to content

Gaussian orbital example + test #25

@joshkamm

Description

@joshkamm
  • Add an example of using a gaussian orbital basis via libcint
  • Update the main function to infer if a gaussian orbital basis is desired based on the input files or a command line option
  • Update pytest and pixi configuration to include a gaussian orbital basis test in github action CI

Metadata

Metadata

Assignees

Labels

No labels
No labels

Type

No type
No fields configured for issues without a type.

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions