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Stress Induced Traversal of Hessian analysis, a refactorization of JEDI to analyze distribution of energy in molecules under a stress force.

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SITH

Stress Induced Traversal of Hessian analysis code

A redesign and simplification of the JEDI approach outlined in https://aip.scitation.org/doi/abs/10.1063/1.4870334.

API is documented and examples are attached, but full documentation of the SITH package is still active, albeit slowly. Thank you for your patience and please do not hesitate to direct any questions to the maintainer at mfarrugi@nd.edu.

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Stress Induced Traversal of Hessian analysis, a refactorization of JEDI to analyze distribution of energy in molecules under a stress force.

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