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A file from AmberTools/SANDER program that manages communication with TeraChem

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AMBER-TC-INTERFACE

A file from AmberTools/SANDER program that manages communication with TeraChem

The initial version was taken from AmberTools19: amber18/AmberTools/src/sander/

Here we manage modifications for our own use, specifically:

  1. Bugfix for MPI interface, which is now double counting Couloumb interactions.
  2. Various other small fixes and features, see individual commits and branches.

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A file from AmberTools/SANDER program that manages communication with TeraChem

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