CP2K¶
CP2K is a freely available (GPL) program, written in Fortran 95, 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.
homepage: https://www.cp2k.org/
| version | versionsuffix | toolchain |
|---|---|---|
2022.1 |
foss/2022a |
|
2023.1 |
foss/2022b |
|
2023.1 |
foss/2023a |
|
5.1 |
foss/2020b |
|
7.1 |
-psmp |
foss/2020b |
7.1 |
foss/2020b |
|
7.1 |
intel/2020b |
|
8.1 |
foss/2020b |
|
8.2 |
foss/2021a |
|
8.2 |
intel/2021a |
|
9.1 |
foss/2022a |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)