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Python package
Installation
PySCF single-point calculations
GPU4PySCF
SCF settings
ASE
Compiled languages
C++ (LibTorch)
Fortran (FTorch)
GauXC (C++, C, Fortran)
Skala in electronic structure packages
CP2K
FHI-aims
Performance
Performance & scaling
References
Skala 1.1 model
Older models
Skala 1.0 model
Skala preprint
Breaking bonds, breaking ground
System Settings
Light
Dark
Index
