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1 parent 5b9c319 commit 70af0fdCopy full SHA for 70af0fd
1 file changed
src/somd2/runner/_repex.py
@@ -1315,11 +1315,7 @@ def _run_block(
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# Perform a terminal flip move before dynamics if requested.
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if self._terminal_flip_sampler is not None and is_terminal_flip:
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_logger.info(f"Performing terminal flip move at {_lam_sym} = {lam:.5f}")
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- if (
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- self._terminal_flip_sampler.move(dynamics.context())
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- and self._config.randomise_velocities
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- ):
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- dynamics.randomise_velocities()
+ self._terminal_flip_sampler.move(dynamics.context())
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_logger.info(f"Running dynamics at {_lam_sym} = {lam:.5f}")
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