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Arshad Mehmood's Projects

aimsprop icon aimsprop

A repository for the representation and manipulation of AIMS-type trajectories, particularly for use in computing time-dependent properties (bond lengths, angles, torsions, X-ray scattering, UED, photoelectron, UV-Vis, etc) in a semi-uniform manner.

chemdamppersson icon chemdamppersson

Software to compute linewidth parameters for chemical interface damping according to the method described by B. N. J. Persson in "Polarizability of small spherical metal particles: influence of the matrix environment," Surf. Sci. 281 (1993) 153-162.

edrcal icon edrcal

Calculate orbital overlap distance

pyspawn17 icon pyspawn17

A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations

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