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fix bug parallelizing pbcs #250

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Jan 31, 2021
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willwheelera
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ProcessPoolExecutor failed with pbcs because of defining compute_energy as a nested function in EnergyAccumulator. This PR defines the function in the Ewald class, so that is has access to the ewald object's energy function and the same inputs as the original energy function.

@lkwagner lkwagner merged commit b2cd56c into WagnerGroup:master Jan 31, 2021
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