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This is the package that will run fireball.x which does energy and force calculations with molecular dynamics implementations.

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thunder-dft/thunder-fireball

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thunder-fireball

This repository contains the sources to create two drivers:

fireball.x and fireball-MDET.x

This driver reads and interpolates all the multi-center interections and builds the tight-binding Hamiltonian. This executable also performs molecular dyanamics and is the fully functional version of the FIREBALL technology.

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This is the package that will run fireball.x which does energy and force calculations with molecular dynamics implementations.

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License

GPL-3.0, Unknown licenses found

Licenses found

GPL-3.0
LICENSE
Unknown
COPYING

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