Dark Mode

Skip to content

Navigation Menu

Sign in
Appearance settings

Search code, repositories, users, issues, pull requests...

Provide feedback

We read every piece of feedback, and take your input very seriously.

Saved searches

Use saved searches to filter your results more quickly

Sign up
Appearance settings

Don't use set_calculator for atoms object#37

Merged
awvwgk merged 3 commits intogrimme-lab:masterfrom
awvwgk:ase-calc-warning
Nov 4, 2020
Merged

Don't use set_calculator for atoms object#37
awvwgk merged 3 commits intogrimme-lab:masterfrom
awvwgk:ase-calc-warning

Conversation

Copy link
Member

awvwgk commented Nov 4, 2020

  • calc is property now

awvwgk added the ase Related to the atomic simulation environment integration label Nov 4, 2020
Copy link

codecov bot commented Nov 4, 2020 *
edited
Loading

Codecov Report

Merging #37 into master will not change coverage.
The diff coverage is n/a.

@@ Coverage Diff @@
## master #37 +/- ##
=======================================
Coverage 97.04% 97.04%
=======================================
Files 8 8
Lines 440 440
=======================================
Hits 427 427
Misses 13 13
Impacted Files Coverage D
xtb/ase/calculator.py 98.95% (o)

Continue to review full report at Codecov.

Legend - Click here to learn more
D = absolute (impact), o = not affected, ? = missing data
Powered by Codecov. Last update 8f3dc41...29f93f6. Read the comment docs.

awvwgk merged commit fdb05a7 into grimme-lab:master Nov 4, 2020
awvwgk deleted the ase-calc-warning branch November 4, 2020 16:27
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

No reviews

Assignees

No one assigned

Labels

ase Related to the atomic simulation environment integration

Projects

None yet

Milestone

No milestone

Development

Successfully merging this pull request may close these issues.

1 participant