Expand description
Low level wrapper for xtb api
Structs§
- XtbCalculator
- XTB single point calculator
- XtbEnvironment
- XTB Calculation environment
- XtbMolecule
- Molecular structure data
- XtbResults
- XTB singlepoint results object
Enums§
- XtbMethod
- Possible parametrisations for the Calculator.