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pycpet documentation
pycpet documentation

Contents:

  • Installation
  • Getting Started - Input Options File
  • Atom Specification
  • Computing Electric Fields, Electric Field Topologies, and Electrostatic Potentials
  • Visualization
  • Dynamics of 3-D E-Fields and Potentials
  • Special Scripts
  • Parallel Execution
  • Citing PyCPET & References
  • API Reference
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