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shorten AHFE time in dev scripts

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richard gowers
2024-02-05 16:52:15 +00:00
parent 0fa3995d5b
commit 03c4a1707c
1 changed files with 2 additions and 2 deletions
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4
devtools/data/gen-serialized-results.py
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@@ -82,9 +82,9 @@ def generate_md_json(smc):
def generate_ahfe_json(smc):
settings = AbsoluteSolvationProtocol.default_settings()
settings.solvent_simulation_settings.equilibration_length = 10 * unit.picosecond
settings.solvent_simulation_settings.production_length = 500 * unit.picosecond
settings.solvent_simulation_settings.production_length = 10 * unit.picosecond
settings.vacuum_simulation_settings.equilibration_length = 10 * unit.picosecond
settings.vacuum_simulation_settings.production_length = 1000 * unit.picosecond
settings.vacuum_simulation_settings.production_length = 10 * unit.picosecond
settings.lambda_settings.lambda_elec = [0.0, 0.25, 0.5, 0.75, 1.0, 1.0,
1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
1.0]