CCP5 DL_POLY_4 practical exercisesΒΆ
Contents:
- Setting up DL_POLY_4
- Anisotropic constant pressure MD
- Fast Ion Conduction
- Potassium Capture by Valinomycin
- MD Algorithms and the Properties of Water
- The Potential of Mean Force for \(H_2O-K^+\)
- Diffusion in Zeolites
- Structure and Dynamics of Argon
- A Carbon Nanoswitch
- Absorption of formic acid onto a calcite surface
- Building notes extra
- FAQ
- Contribution workflow and the review process
- Coding Style