Utilities

This part of the documentation give some information about basic algebrical types used in Jumos.

• Internal units
• Interaction with others units systems
• Periodic boundary conditions and distances computations
  • Minimal images
  • Distances
• Trajectories
  • Reading and writing trajectories
  • Readind and writing topologies

Array3D

3-dimensionals vectors are very common in molecular simulations. The Array3D type implements arrays of this kind of vectors, provinding all the usual operations between its components.

If A is an Array3D and i an integer, A[i] is a 3-dimensional vector implementing +, - between vector, .+, .-, .*, */ between vectors and scalars; dot and cross products, and the unit! function, normalizing its argument.