Advanced ReaxFF workshop materials, faster visualization of many atoms

Gcmc pdo nanoparticle

The workshop materials from the advanced 2-day ReaxFF hands on workshop organized by NSCCS are now available. They include examples for accelerated dynamics (fbMC), grand canonical monte carlo and force field fitting with MCFF.

phases of Pd oxide nanoparticle

Although Linux is the most natural environment for the extensive scripting used in these examples, they can also be done on Windows or MacOS. While you try out these examples, it could be useful to use a development snapshot, which is much faster for visualizing large simulation boxes. Since the development snapshots have not fully tested, be aware that you can run into problems, your feedback on what you like and what does not work is much appreciated!

The faster visualization with VTK7 should become the default in our next main release.

Fast visualization of many atoms
Fast visualization of many atoms with new VTK in ADF development snapshots



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