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Add support for variable position/velocity trajectory writing #1083

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Merged
IAlibay merged 15 commits into from
Feb 4, 2025

Fix the write frequency to not fail test

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Merged

Add support for variable position/velocity trajectory writing #1083

Fix the write frequency to not fail test
233e90f
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Codecov / codecov/patch succeeded Feb 3, 2025 in 0s

96.29% of diff hit (target 91.84%)

View this Pull Request on Codecov

96.29% of diff hit (target 91.84%)

Annotations

Check warning on line 479 in openfe/protocols/openmm_utils/omm_settings.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/protocols/openmm_utils/omm_settings.py#L479 

Added line #L479 was not covered by tests

Check warning on line 481 in openfe/protocols/openmm_utils/omm_settings.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/protocols/openmm_utils/omm_settings.py#L481 

Added line #L481 was not covered by tests

Check warning on line 56 in openfe/tests/protocols/test_openmm_rfe_slow.py

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@codecov codecov / codecov/patch

openfe/tests/protocols/test_openmm_rfe_slow.py#L56 

Added line #L56 was not covered by tests
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