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fix docs in #286 (#308)
fix a small typo in docs
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dpdata/plugins/amber.py

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@@ -68,7 +68,7 @@ def to_system(self, data, fname=None, frame_idx=0, **kwargs):
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----------------
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**kwargs : dict
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valid parameters are:
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theory : str, default=dftb3
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qm_theory : str, default=dftb3
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level of theory. Options includes AM1, RM1, MNDO, PM3-PDDG, MNDO-PDDG,
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PM3-CARB1, MNDO/d, AM1/d, PM6, DFTB2, DFTB3
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charge : int, default=0
@@ -96,6 +96,7 @@ class SQMDriver(Driver):
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Examples
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--------
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Use DFTB3 method to calculate potential energy:
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>>> labeled_system = system.predict(theory="DFTB3", driver="sqm")
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>>> labeled_system['energies'][0]
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