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Multi step MD flow #489

Merged
merged 13 commits into from
Jan 8, 2024

fix md flows and tests

ff8d58d
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Merged

Multi step MD flow #489

fix md flows and tests
ff8d58d
Select commit
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Codecov / codecov/patch succeeded Dec 19, 2023 in 1s

89.65% of diff hit (target 76.00%)

View this Pull Request on Codecov

89.65% of diff hit (target 76.00%)

Annotations

Check warning on line 14 in src/atomate2/vasp/flows/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/flows/md.py#L14 

Added line #L14 was not covered by tests

Check warning on line 16 in src/atomate2/vasp/flows/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/flows/md.py#L16 

Added line #L16 was not covered by tests

Check warning on line 18 in src/atomate2/vasp/flows/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/flows/md.py#L18 

Added line #L18 was not covered by tests

Check warning on line 26 in src/atomate2/vasp/jobs/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/jobs/md.py#L26 

Added line #L26 was not covered by tests

Check warning on line 28 in src/atomate2/vasp/jobs/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/jobs/md.py#L28 

Added line #L28 was not covered by tests

Check warning on line 30 in src/atomate2/vasp/jobs/md.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

src/atomate2/vasp/jobs/md.py#L30 

Added line #L30 was not covered by tests
View more details on Codecov