binghuang2018 / yaehmop

Yet Another extended Hueckel Molecular Orbital Package

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YAeHMOP: Yet Another extended Hueckel Molecular Orbital Package

This software was original written by Greg Landrum during his time in the Hoffmann Group at Cornell University. Modifications to support COHP analysis and f-orbitals were provided by Wingfield Glassey.

The license has been updated to the standard BSD 2-clause license for the github version of the code.

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Yet Another extended Hueckel Molecular Orbital Package

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Language:C 87.8%Language:Fortran 10.9%Language:C++ 0.8%Language:Makefile 0.2%Language:CMake 0.2%Language:Objective-C 0.1%