Filtering for "Computational-Chemistry"
- Compiling CREST on macOS with M-series Chips The standard CREST build fails on Apple Silicon because cmake links against the Accelerate framework. Compiling against openblas and lapack instead fixes it.
- Installing ORCA on macOS Arm64 Installing and configuring ORCA 6.0.0 on Apple Silicon Macs, including Open MPI compilation for parallel calculations.