Scine::Core
3.0.0
Module management and core interface definitions
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![]() ![]() ![]() | Your module class definition |
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![]() ![]() ![]() ![]() | Base class for objects with a Log member |
![]() ![]() ![]() ![]() | 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 |
![]() ![]() ![]() ![]() | A naming interface for all states to be handled in SCINE |
![]() ![]() ![]() ![]() | An interface for all objects that should have a handable state |
![]() ![]() ![]() ![]() | An Exception for an error when handling keys in settings |
![]() ![]() ![]() ![]() | An Exception for an error when handling values in settings |
![]() ![]() ![]() ![]() | 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 |
![]() ![]() ![]() ![]() | Exception to be thrown if the state cannot be cast to the desired type |
![]() ![]() ![]() ![]() | Exception thrown when one requires properties from a calculation which cannot be calculated |
![]() ![]() ![]() ![]() | Base class for exceptions thrown during calculations |
![]() ![]() ![]() ![]() | Exception thrown when a problem arises in the calculator initialization |
![]() ![]() ![]() ![]() | Exception thrown when launching a calculation with an empty structure |
![]() ![]() ![]() ![]() | Exception thrown when a calculation is unsuccessful |
![]() ![]() ![]() ![]() | Exception thrown for errors in state saving / resetting |
![]() ![]() ![]() ![]() | 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 able to generate a wavefunction output file |
![]() ![]() ![]() ![]() | Multi-domain multi-sink logger |
![]() ![]() ![]() ![]() ![]() | Multi-sink object representing a single logging domain |
![]() ![]() ![]() ![]() | Abstract base class for a module, which flexibly provides consumers with common interface derived classes |
![]() ![]() ![]() ![]() | The manager for all dynamically loaded modules |
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![]() ![]() ![]() ![]() | A dummy interface class |