CP2K
Methods
Density Functional Theory
Post Hartree-Fock
Semi-Empiricals
Machine Learning
Embedding
QM/MM
QM/MM with built-in force-field
QM/MM with Gromacs
Polarizable Force-Fields
Implicit Solvation
Image charges
Sampling
Optimization
Spectroscopy
Other Properties
References
Input Reference
Bibliography
Units
Release Versions
2023.2
2023.1
All versions
CP2K
QM/MM
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QM/MM
QM/MM with built-in force-field
QM/MM with Gromacs
Polarizable Force-Fields
Implicit Solvation
Image charges