EQeq Charge Partitioning

This work is based on utilizing the EQeq charge partitioning scheme developed by Wilmer and Snurr.

.cif files must be converted to a P1 CIF file, as the v1_00 script does not handle symmetry.

EQeq_v1_00.cpp does not run if any atom positions are set as 0 (They need to be set as 0.000). This should only be a problem when certain atom sites are on special positions in the unit cell

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