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1 parent ebbd4a2 commit cb21d09Copy full SHA for cb21d09
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src/somd2/runner/_runner.py
@@ -631,6 +631,9 @@ def generate_lam_vals(lambda_base, increment=0.001):
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# Store the checkpoint time in nanoseconds.
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checkpoint_interval = self._config.checkpoint_frequency.to("ns")
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+ # Store the start time.
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+ start = _timer()
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+
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# Run the simulation, checkpointing in blocks.
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if self._config.checkpoint_frequency.value() > 0.0:
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@@ -645,9 +648,6 @@ def generate_lam_vals(lambda_base, increment=0.001):
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num_blocks = int(frac)
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rem = round(frac - num_blocks, 12)
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- # Store the star time.
- start = _timer()
-
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# Run the dynamics in blocks.
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for block in range(int(num_blocks)):
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# Add the start block number.
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