Allow EMLECalculator to compute electrostatic contributions to energy and gradients only #14
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This PR adds support for using no backend for the in vacuo calculation, so that the
EMLECalculatoronly returns the electrostatic contributions to the energy and gradients. This allows the calculator to be used with existing backends, e.g. those fromOpenMM-ML.This also fixes a small bug in the conditonal checking for the backends, where there were two consecutive
ifstatements. (Ironically, this was only caught be the addition of the finalelsestatement to catch theNoneTypebackend.)