CP2K (Application)
Introduction
CP2K is a program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems. It provides a general framework for different methods such as e.g., density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) and classical pair and many-body potentials.
Licensing
CP2K is freely available under the GPL license.
Availability Table
| Version | Default | Module | Systems |
|---|---|---|---|
| 2.5.1 |
|
orca | |
| 3.0 |
|
orca |
Documentation
https://www.sharcnet.ca/help/index.php/CP2K
Mailing List
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Change Log
o Jan 15, 2015: Installed cp2k/3.0 on kraken, orca, redfin, and saw.
o Nov 5, 2014: Installed cp2k/2.5.1 on hound, kraken, orca, redfin, and saw.