Skip to content

Qcop CLI for converting xyz file to printed out array of arrays in bohr (sub issue of creating CLI) #16

Description

@coltonbh

qcop bohr file.xyz

symbols = [...]
geometry = [[...]]

For quick conversion of xyz files to copy and paste into input.toml files.

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