nep框架重构
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@@ -5,7 +5,7 @@ import logging
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from src.utils import load_yaml
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from src.utils import load_yaml
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from src.machine import MachineManager
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from src.machine import MachineManager
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from src.steps import MDStep, SelectStep, SCFStep, TrainStep
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from src.steps import MDStep, SelectStep, SCFStep, TrainStep
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import subprocess
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class Workflow:
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class Workflow:
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def __init__(self, root_dir):
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def __init__(self, root_dir):
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