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Using default online analysis interval in GPU repex tests #1207

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merged 2 commits into from
Jun 15, 2023
Merged

Using default online analysis interval in GPU repex tests #1207

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bb23f47
Using default online analysis interval. fix gpu ci.
ijpulidos Jun 15, 2023
4f6f94f
Merge branch 'main' into fix-gpu-ci-ommtools023
ijpulidos Jun 15, 2023
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8 changes: 4 additions & 4 deletions perses/tests/test_repex.py
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Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@ def test_RESTCapableHybridTopologyFactory_repex_neutral_mutation():
constraint_tolerance=1e-06),
replica_mixing_scheme='swap-all',
hybrid_factory=htf,
online_analysis_interval=None)
)

hss.setup(n_states=12, temperature=300 * unit.kelvin, t_max=300 * unit.kelvin,
storage_file=reporter, minimisation_steps=0, endstates=True)
Expand Down Expand Up @@ -169,7 +169,7 @@ def test_RESTCapableHybridTopologyFactory_repex_charge_mutation():
constraint_tolerance=1e-06),
replica_mixing_scheme='swap-all',
hybrid_factory=htf,
online_analysis_interval=None)
)

hss.setup(n_states=36, temperature=300 * unit.kelvin, t_max=300 * unit.kelvin,
storage_file=reporter, minimisation_steps=0, endstates=True)
Expand Down Expand Up @@ -279,7 +279,7 @@ def test_RESTCapableHybridTopologyFactory_repex_neutral_transformation():
constraint_tolerance=1e-06),
replica_mixing_scheme='swap-all',
hybrid_factory=htf,
online_analysis_interval=None)
)

sampler.setup(
n_states=n_states,
Expand Down Expand Up @@ -394,7 +394,7 @@ def test_RESTCapableHybridTopologyFactory_repex_charge_transformation():
constraint_tolerance=1e-06),
replica_mixing_scheme='swap-all',
hybrid_factory=htf,
online_analysis_interval=None)
)

sampler.setup(
n_states=n_states,
Expand Down