about
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about [2015/09/03 18:32] – force fields, not forcefields rivanvx | about [2020/08/21 13:22] – oschuett | ||
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====== About CP2K ====== | ====== About CP2K ====== | ||
- | 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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Using CP2K for [[science|scientific simulations]] requires a good understanding of [[http:// | Using CP2K for [[science|scientific simulations]] requires a good understanding of [[http:// | ||
</ | </ | ||
+ | |||
+ | {{ youtube> | ||
===== Getting involved ===== | ===== Getting involved ===== | ||
- | The active development takes place in the [[http://sourceforge.net/p/cp2k/ | + | The active development takes place under [[https://github.com/cp2k|GitHub]] ([[https://github.com/cp2k/cp2k/ |
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+ | ===== 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.. | ||
+ | </ | ||
+ | In cases where a detailed list of references is not appropriate, |
about.txt · Last modified: 2020/11/16 15:36 by vrybkin