cp2kmdpy
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Contents:

  • 1. Installation
  • 2. CP2K installation
  • 3. Molecule optimization
  • 4. Running molecular dynamics
  • 5. Examples
cp2kmdpy
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Index

M

M

  • MD (class in cp2kmdpy.md)
  • Molecule_optimization (class in cp2kmdpy.molecule_optimization)

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