Features:
- Small benchmark driver
- Some automatic convergence detection
- Rudimentary method to estimate homo-lumo gap
- Python documentation
Improvements:
- Memory optimizations in multiply
- Early exit for WOM
- Intermediate energies printed by WOM (for heat capacity estimate)
- Write comment feature for the logger
- Merge triplet lists function
Bug Fixes:
- Fix use of fractional charge in dense eigensolver
- Extra warnings added to the debug setting, with appropriate fixes
- When number of matrix elements couldn't fit in int4, there was a bug
- TRS4 had some issues with division by zero for the exact solution
- Enforce F2003 standard