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Package org.wallerlab.yoink.processor.service.chem
This package is to interact with external software to obtain energies and gradients for QM, MM and/or QM/MM.
See:
Description
Class Summary
Class
Description
MMProcessor
this class is to call MM calculation
QMMMProcessor
this class is to call QM/MM calculation
QMProcessor
this class is to call QM calculation
Package org.wallerlab.yoink.processor.service.chem Description
This package is to interact with external software to obtain energies and gradients for QM, MM and/or QM/MM.
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