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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
ESP — Invokes the electrostatic potential method for charge calculation.
ESP
This keyword activates access to the Electrostatic Potential (ESP) charge calculation algorithm contributed by K.D. Merz and B.H. Besler. See Chapter 10, Electrostatic Potential for a more complete description of the ESP methods and the dedicated keywords that it uses.
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ESR |