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A molecular dynamics package based around self-consistent-charge density
functional tight binding theory.
Features:
* Forces computed at the SCC-DFTB level.
* Provides forces and the potential component of the total energy.
* Integrates the electronic degrees of freedom (XL) (provides charges).
* Solves the electronic structure of the system.
* Several solvers such as SP2, Truncated SP2, Chebyshev polynomial
expansion, etc.
WWW: https://github.com/lanl/LATTE
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