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Module for calculating and retriving energy components from Desmond's vrun program.
Copyright Schrodinger, LLC. All rights reserved.
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EnergyComponent Class for storing different energy components. |
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PairDict PairDict is a special dictionary that treats pairs with the same element as equals, independent of order. |
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EnergyGroupAnalysis General Energy Group analysis class. |
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MSEnergyGroupAnalysis Material Science energy group extension |
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EnergyGroup A tool to calculate group-group interaction. |
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MSEnergyGroup A tool to calculate material-science related energy analyses |
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logger = log.get_output_logger("energygroup")
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ENGERY_GROUP_PREFIX = |
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__package__ = |
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