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The Effective Fragment Potential Method Calculation Tool
LIBEFP facilitates extension of unique electronic structure methodologies designed for accurate simulations in the gas phase to condensed phases via QM/EFP. This tool provides a easy-to-use GUI for input generation and output visualization.
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Abstract
This tool serves as a bridge between the users and the libefp package which will take users' manual input through a GUI interface and visualize the output using 3-D molecule models.
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