CP2K Open Source Molecular Dynamics

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dev:todo [2026/10/22 08:15] – alazzarodev:todo [2026/10/22 08:17] (current) – [Missing features?] alazzaro
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   * Complex matrices are not fully supported, which is why they are not used in e.g. RTP.   * Complex matrices are not fully supported, which is why they are not used in e.g. RTP.
   * Expose dbcsr's internal types as Fortran types. This means having separate types for symmetry/non-symmetric and int/float/complex.   * Expose dbcsr's internal types as Fortran types. This means having separate types for symmetry/non-symmetric and int/float/complex.
-  * Use the CUDA [[http://docs.nvidia.com/cuda/nvrtc/index.html|runtime compilation library]] instead of statically linking only a small list of preselected kernels. 
dev/todo.txt · Last modified: by alazzaro