CP2K Open Source Molecular Dynamics

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howto [2017/07/26 15:02] – [Advanced Topics] oschuetthowto [2017/12/18 13:04] – [Advanced Topics] nholmber
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   * [[howto:lrigpw | How to run DFT with local resolution-of-the-identity in CP2K]]   * [[howto:lrigpw | How to run DFT with local resolution-of-the-identity in CP2K]]
   * [[howto:biochem_qmmm|How to run QM/MM simulations for biochemical systems]]   * [[howto:biochem_qmmm|How to run QM/MM simulations for biochemical systems]]
 +  * [[howto:ic-qmmm| How to run IC-QM/MM simulations for interface systems]]
   * [[howto:shifter|How run with Shifter / Docker]]   * [[howto:shifter|How run with Shifter / Docker]]
 +  * [[howto:cdft|How to perform constrained DFT simulations]]
 ===== Applications / Case Studies ===== ===== Applications / Case Studies =====
   * [[ science | Example published work using CP2K ]]   * [[ science | Example published work using CP2K ]]
      
howto.txt · Last modified: 2024/05/29 15:47 by oschuett