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Ivanlh20 / multem

MULTEM is a powerful and advanced collection of C++ routines with CUDA support, designed to perform efficient and accurate multislice simulations for various TEM experiments such as HRTEM, STEM, ISTEM, ED, PED, CBED, ADF-TEM, ABF-HC, EFTEM, and EELS.
GNU General Public License v3.0
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Adding static atomic displacements to simulations? #26

Closed Quantumstud closed 5 years ago

Quantumstud commented 5 years ago

Hi, For my project, I wanted to take into account static atomic displacements using the Stillinger-Weber parameterization. Is there any way I can inherently do that in MULTEM? Thank you.

Quantumstud commented 5 years ago

Hi, Think this can be done quite easily using the LAAMPS package, Thank you,