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.

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

conformer search with solvation effect #737

Open
wants to merge 11 commits into
base: main
Choose a base branch
from

Divide the multi_species cluster into smaller amount

efab850
Select commit
Loading
Failed to load commit list.
Open

conformer search with solvation effect #737

Divide the multi_species cluster into smaller amount
efab850
Select commit
Loading
Failed to load commit list.
Codecov / codecov/patch failed Mar 28, 2024 in 1s

14.92% of diff hit (target 73.82%)

View this Pull Request on Codecov

14.92% of diff hit (target 73.82%)

Annotations

Check warning on line 493 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L493

Added line #L493 was not covered by tests

Check warning on line 578 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L578

Added line #L578 was not covered by tests

Check warning on line 586 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L586

Added line #L586 was not covered by tests

Check warning on line 588 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L588

Added line #L588 was not covered by tests

Check warning on line 591 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L590-L591

Added lines #L590 - L591 were not covered by tests

Check warning on line 982 in arc/main.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/main.py#L980-L982

Added lines #L980 - L982 were not covered by tests

Check warning on line 691 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L691

Added line #L691 was not covered by tests

Check warning on line 1198 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1195-L1198

Added lines #L1195 - L1198 were not covered by tests

Check warning on line 1203 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1202-L1203

Added lines #L1202 - L1203 were not covered by tests

Check warning on line 1213 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1210-L1213

Added lines #L1210 - L1213 were not covered by tests

Check warning on line 1224 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1215-L1224

Added lines #L1215 - L1224 were not covered by tests

Check warning on line 1227 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1226-L1227

Added lines #L1226 - L1227 were not covered by tests

Check warning on line 1230 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1229-L1230

Added lines #L1229 - L1230 were not covered by tests

Check warning on line 1235 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1232-L1235

Added lines #L1232 - L1235 were not covered by tests

Check warning on line 1242 in arc/species/conformers.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

arc/species/conformers.py#L1237-L1242

Added lines #L1237 - L1242 were not covered by tests