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This project provides a toolkit for use with OpenMM for the computation of Stark probes using a consistent treatment of electrostatic effects affecting the Stark vibrational probe.


This project provides a toolkit for use with OpenMM for the computation of Stark probes using a consistent treatment of electrostatic effects affecting the Stark vibrational probe. It provides a set of StarkReporter modules for use with the OpenMM app and corresponding analysis scripts to compute effective Stark shifts.

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