|
Scine::Core
3.0.0
Module management and core interface definitions
|
| Multi-sink object representing a single logging domain | |
| A dummy interface class | |
| STL class | |
| An Exception for an error when generating classes through a module-interface | |
| An Exception for an error when a function in a module-interface is not implemented | |
| An Exception for an error when handling keys in settings | |
| An Exception for an error when handling values in settings | |
| Exception to be thrown if the state cannot be cast to the desired type | |
| STL class | |
| Base class for exceptions thrown during calculations | |
| Exception thrown when launching a calculation with an empty structure | |
| Exception thrown when a problem arises in the calculator initialization | |
| Exception thrown for errors in state saving / resetting | |
| Exception thrown when a calculation is unsuccessful | |
| Exception thrown when one requires properties from a calculation which cannot be calculated | |
| Multi-domain multi-sink logger | |
| Abstract base class for a module, which flexibly provides consumers with common interface derived classes | |
| Your module class definition | |
| The manager for all dynamically loaded modules | |
| Base class for objects with a Log member | |
| The interface for all classes running electronic structure calculations | |
| The interface for all classes running calculations on top of a reference calculation. This can be, for example, excited states calculation (CIS, TD-DFT(B),..) and post-HF | |
| The interface for all classes parametrizing a molecular mechanics model | |
| Interface class defining an entity having a molecular structure. This solves the diamond inheritance problem where multiple different classes have a setStructure() method. A derived class cannot know which method to choose from. This way, there is only one setStructure() method | |
| The interface for all classes running electronic structure calculations | |
| Interface class defining an entity able to generate a wavefunction output file | |
| A naming interface for all states to be handled in SCINE | |
| An interface for all objects that should have a handable state | |
| The interface for all classes running electronic structure calculations | |
| Interface class defining an entity able to generate a wavefunction output file | |