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This is the package that will run the lightning.x code which does energy only calculations using the density on the grid approach.

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thunder-dft/thunder-lightning-grid

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thunder-lightning-grid

This repository contains the sources to create one driver:

lightning-grid.x

This driver reads and interpolates all the multi-center interections and builds the Kohn-Sham Hamiltonian. This executable is an energy-only calculator. Use the full fireball.x to do molecular dynamics simulations.

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This is the package that will run the lightning.x code which does energy only calculations using the density on the grid approach.

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License

GPL-3.0, Unknown licenses found

Licenses found

GPL-3.0
LICENSE
Unknown
COPYING

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