Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

add doc and example for TBtrans interface #52

Merged
merged 11 commits into from
Dec 25, 2023
Merged

add doc and example for TBtrans interface #52

merged 11 commits into from
Dec 25, 2023

Conversation

AsymmetryChou
Copy link
Collaborator

@AsymmetryChou AsymmetryChou commented Dec 19, 2023 •
edited by QG-phy
Loading

  • I add doc and example for TBtrans interface tbtrans_negf and its example#51

    • Docs provides sufficient instructions for users to master the interface
    • Example tbtrans_hBN shows how to use the interface to generate hamiltonian and related info using dptb model and then claculate transmisson with TBtrans.

  • Besides I add sisl to DeePTB/pyproject.toml

Fix #51

QG-phy
QG-phy approved these changes Dec 25, 2023
View reviewed changes
Copy link
Collaborator

@QG-phy QG-phy left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

only for doc and example. looks ok.

@QG-phy QG-phy merged commit 2f20f04 into deepmodeling:main Dec 25, 2023
2 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@QG-phy QG-phy QG-phy approved these changes

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

add TBtrans interface instruction to docs and example
2 participants
@AsymmetryChou @QG-phy