Topics brief introduction:
       CPM is an abbreviation of Constant Potential Method. Currently, in most MD simulations, the electrode is modeled by using a uniform fixed charge on the electrode. We call this method as fixed charge method (FCM). This method ignores electrode response to local charge fluctuations. There is another method, which is called constant potential method (CPM), can maintain constant electrical potential on electrode surfaces.

Topics developers:
Sheng, Guang
Topics goals:

  1. Develop a code to realize the CPM in channel geometry simulation.
  2. Make the code can run in Multi-processors or Multi-threads.
  3. Develop a code for a more complicate geometry.


1.20150825, Sheng developed a code for channel geometry, which can run in MPI.

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