Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS

DOI10.1016/J.CPC.2014.11.017MaRDI QIDQ311604zbMATH OpenOpenAlexFDO

Authors Takenobu Nakamura, Shuhei Kawamoto, Wataru Shinoda

Publication date 13 September 2016

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2014.11.017

zbMATH Keywords

molecular dynamicsIrving-kirkwood contourpressure field

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

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Cites work

• Base Catalysed Hydrolysis of Aminecobalt(III) Complexes: From the Beginnings to the Present
• Fast parallel algorithms for short-range molecular dynamics
• Statistical mechanics of inhomogeneous fluids

Cited in

(1)

• Calculation of local and average pressure tensors in molecular simulations

Describes a project that uses

Uses Software

• LAMMPS

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