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CP2K
CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.
- electronic structure
- GPU
- High performance computing
- + 5
- Fortran
- C
- Python
- + 12
8
4198
GMGPolar
GMGPolar is a geometric multigrid solver using implicit extrapolation to raise the convergence order. It is based on meshes in tensor- or product-format. GMGPolar's focus applications are geometries that can be described by polar or curvilinear coordinates for which suited smoothing is available.
- Energy
- Geometric Multigrid
- High performance computing
- + 5
- C++
- Python
- Shell
- + 3
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