579 dftb hamiltonian #686
Merged
579 dftb hamiltonian #686
+339
−9
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Signed-off-by: Nick Papior <[email protected]>
This enables one to do transport with DFTB and various other kinds of things. This fixes #579. One cannot read density matrices since they are not written to disk. Signed-off-by: Nick Papior <[email protected]>
Signed-off-by: Nick Papior <[email protected]>
![github-advanced-security[bot]](https://avatars.githubusercontent.com/in/57789?s=60&v=4){kind=small}
| """ | ||
| from .sile import * # isort: split | ||
| from .realdat import * |
Check notice
Code scanning / CodeQL
'import *' may pollute namespace Note
|
|
||
| # isort: split | ||
|
|
||
| from .bigdft import * |
Check notice
Code scanning / CodeQL
'import *' may pollute namespace Note
| # isort: split | ||
|
|
||
| from .bigdft import * | ||
| from .dftb import * |
Check notice
Code scanning / CodeQL
'import *' may pollute namespace Note
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
isort .andblack .[24.2.0] at top-leveldocs/CHANGELOG.md