hdMD: Efficient d-dimensional molecular dynamics for studies of the glass-jamming transition

[as described in: R. S. Hoy and K. Interiano-Alberto, Phys. Rev. E v. 105, article 055305 (2022)]

The first publicly released version (which matches the description given in the PRE article) can be downloaded by clicking here. It has been successfully compiled using both the Intel and g++ C++ compilers -- see the Makefiles in the BUILD directory -- and successfully run on a number of different machines.

A substantially updated version can be downloaded by clicking here. This version includes numerous enhancements such as:
  1. It has been converted to a more object-oriented, modular format. Among the advantages of the new format is that you can now switch between the Morse-potential, Kob-Andersen, and Lennard-Jones models by editing a single line of code (the "model" flag value on line 98 of main.cpp.
  2. Many diagnostic tools have been added, including calculation of the self-intermediate scattering function S(q,t) and identification of mobile-particle clusters and strings a la [Starr, Douglas, and Sastry, J. Chem. Phys. 138, 12A541 (2013)].
  3. Algorithmic enhancements that speed the code up by ~5% relative to the original version.
If you have trouble compiling and/or running either version, and/or any other questions about the code, email me.