Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
SparrowState.h File Reference
Include dependency graph for SparrowState.h:
This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes

class  Scine::Sparrow::IncompatibleStateException
 
struct  Scine::Sparrow::SparrowState
 Definition of a calculation state for methods implemented in Sparrow. The calculation state is defined as the density matrix and the coefficient matrix at some point. If the density matrix is empty, an exception is thrown at loading time. More...
 

Detailed Description