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Showing 3 open source projects for "ionic"

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1

RMGDFT

Real Space Multigrid based electronic structure code.

...Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.

Downloads: 0 This Week

Last Update: 2020-09-29
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2

AnharmoniCAOS

Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT

Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).

Downloads: 0 This Week

Last Update: 2019-02-07
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3

CardiacSimu

A 3D cardiac model for electrophysical study.

Downloads: 0 This Week

Last Update: 2019-02-12
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