-
Notifications
You must be signed in to change notification settings - Fork 111
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.
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
Update lobster output file list #355
Open
naik-aakash
wants to merge
9
commits into
materialsproject:master
Choose a base branch
from
naik-aakash:update_lobsteroutputs
base: master
Could not load branches
Branch not found: {{ refName }}
Loading
Could not load tags
Nothing to show
Loading
Are you sure you want to change the base?
Some commits from the old base branch may be removed from the timeline,
and old review comments may become outdated.
Open
Update lobster output file list #355
naik-aakash
wants to merge
9
commits into
materialsproject:master
from
naik-aakash:update_lobsteroutputs
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
Please have some unittests to make sure that these are dealt with as they should. |
naik-aakash
changed the title
Update lobster output file list
[WIP] Update lobster output file list
Nov 5, 2024
13 tasks
naik-aakash
changed the title
[WIP] Update lobster output file list
Update lobster output file list
Nov 17, 2024
Hi @shyuep, unit tests have been added now and should be ready to be merged. Happy to address any changes if desired. |
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Outdated suggestions cannot be applied.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.
Hi @JaGeo and @shyuep, I have updated the list of output files from LOBSTER here. These are optional files that can be generated using lobster >=v5.
This should also get gzipped now if a user runs with keywords that enable such calculations.
Todo