mdapy: a flexible and efficient analysis software for molecular dynamics simulations

DOI10.1016/J.CPC.2023.108764MaRDI QIDQ6115290zbMATH OpenFDO

Authors Yongchao Wu, Jian-Li Shao

Publication date 12 July 2023

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

Full work available at URL https://doi.org/10.1016/J.CPC.2023.108764

zbMATH Keywords

molecular dynamicsparallel computingpolycrystalsimulation analysistaichi

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX)

Cites work

• scientific article; zbMATH DE number 6789886 (Why is no real title available?)
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Cited in

(6)

• sDMD: an open source program for discontinuous molecular dynamics simulation of protein folding and aggregation
• ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models
• DL_POLY₃: the CCP5 national UK code for molecular–dynamics simulations
• Eucb: a C++ program for molecular dynamics trajectory analysis
• Las Palmeras molecular dynamics: a flexible and modular molecular dynamics code
• MDVRY: a polarizable classical molecular dynamics package for biomolecules

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