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PoreMS: 0.2.0

Kraus, Hamzeh; Hansen, Niels

PoreMS is a python package for generating pore structures to be used in molecular simulations.

This Version includes a complete restructuring/reprogramming of the code for easier expansion and testing.

  • Classes are now standalone. Pore structures are created by running all classes iteratively instead of class interdependences.
  • By decoupling the classes, tests for specific classes are possible.
  • Provided pore systems are black boxes for an easy pore generation. It is also suggested to use these classes as templates for more individualized pore structures.
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