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start [2013/06/17 13:07] – created 129.132.169.21start [2013/06/17 13:54] (current) – removed 129.132.169.21
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-====== About CP2K ====== 
- 
-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. 
- 
-CP2K is [[wiki:download|freely available]] under the GPL license. 
-It is written in Fortran 95 and can be run efficiently in parallel. 
- 
- 
-===== Strengths ... ===== 
- 
-CP2K provides state-of-the-art methods for efficient and accurate atomistic 
-simulations, sources are freely available and actively improved.  
-It is therefore easy to give the code a try, and to make modifications as needed. 
- 
- 
-===== ... and limitations ===== 
-However, you'll find all versions of the CP2K code on this server and they all 
-come with little documentation and without any warranty. 
- 
-No official release has been made. You might therefore expect that substantial 
-changes, improvements and bug fixes will be made at irregular intervals. 
-Using the code for production quality simulations is possible but requires 
-detailed knowledge about the active development. 
- 
- 
-===== Some key parts of CP2K ===== 
-* Fist: classical molecular dynamics 
-* Kim-Gordon Models 
-* [[Quickstep]]: Density functional calculations 
- 
- 
-===== Who is behind this project? ===== 
-A partial answer is given by the  
-[[https://sourceforge.net/project/memberlist.php?group_id=614853| list of developers ]] 
-having SVN write permission. 
  
start.1371474459.txt.gz · Last modified: 2020/08/21 10:15 (external edit)