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User guide
Installation
Using the Skala functional in PySCF
Configuring SCF parameters
Using Skala with the Atomic Simulation Environment (ASE)
Using Skala in Fortran with FTorch
Using Skala on Azure AI Foundry
Integrating Skala in Electronic Structure Packages via GauXC
Installing GauXC
GauXC standalone usage
GauXC in C++
GauXC in C
GauXC in Fortran
Reference for GauXC API
GauXC Molecule API
GauXC Basis Set API
Molecular grid settings
Runtime environment
Load balancer API
Molecular grid weights API
Exchange-correlation integrator
Macro definitions
Error handling in GauXC
CMake Configuration Options
References
Skala preprint
Breaking bonds, breaking ground
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