|
tblite
Light-weight tight-binding framework
|
Directories | |
| xtb-ml | |
Files | |
| list.f90 | |
| Implements post processing conatiner list, collcting post processing methods. | |
| molmom.f90 | |
| Implements the calculation of molecular moments as post processing methods. | |
| type.f90 | |
| Implements post processing container abstract class, and the collection of computing caches. | |
| wbo.f90 | |
| Implements the calculation of Wiberg-Mayer bond orders as post processing method. | |