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

DOI10.1016/J.CPC.2014.11.017zbMath1344.82008OpenAlexW2073069566MaRDI QIDQ311604

Wataru Shinoda, Shuhei Kawamoto, Takenobu Nakamura

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)

Uses Software

• LAMMPS

Cites Work

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

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