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about [2018/10/26 07:53] – krack | about [2020/11/16 15:36] (current) – [How to cite CP2K] vrybkin | ||
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CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as [[http:// | CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as [[http:// | ||
- | CP2K is written in Fortran | + | CP2K is written in Fortran |
[[download |{{ :: | [[download |{{ :: | ||
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CP2K provides state-of-the-art methods for efficient and accurate atomistic simulations. Some of the key parts of CP2K are [[Quickstep]], | CP2K provides state-of-the-art methods for efficient and accurate atomistic simulations. Some of the key parts of CP2K are [[Quickstep]], | ||
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+ | {{ youtube> | ||
< | < | ||
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The active development takes place under [[https:// | The active development takes place under [[https:// | ||
+ | ===== How to cite CP2K ===== | ||
+ | |||
+ | <note tip> | ||
+ | When performing simulations with CP2K, the developer team kindly asks you to acknowledge their work by citing the articles in the " | ||
+ | This section lists the scientific articles that describe the specific modules and methods used in the calculation. | ||
+ | </ | ||
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+ | In cases where a detailed list of references is not appropriate, |
about.1540540403.txt.gz · Last modified: 2020/08/21 10:15 (external edit)