Summary
Summary
- Shake-and-Bake: Dual-Space Direct Methods
- Targeted at 100-800 atom structures
- SnB version 2.0
- Optimized code with Inverse FFT
- Additional Density Modification Options
- Improved Fourier Recycling: “Twice Baking”
- I/O: |E| calculation and visualization interface
- (SIR/SAS/MAD Invariants with estimated values)