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This repo contains the modified YAeHMOP code used for the mobile app YAeHMOP

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This is the YAeHMOP fork used in the mobile app YAeHMOP

Changes in this fork

  • driver.c (info on compilation)
  • Makefile - set paths to your cross-compiler, flags etc.

Compilation

$ make

ORIGINAL DESCRIPTION:

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.

About

This repo contains the modified YAeHMOP code used for the mobile app YAeHMOP

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