Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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AM1TypeMethodWrapper.h File Reference
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Classes

class  Scine::Sparrow::AM1TypeMethodWrapper< AM1Type >
 A parent class for all AM1-type methods using the same formalism but different parameters (AM1, RM1, PM3). This class uses the curiously recurrent template pattern to have compile-time resolution of the model names, as well as the use of the right constructor. The constructors are method-dependant, having independent classes would lead to unwanted code duplication. More...
 
class  Scine::Sparrow::AM1MethodWrapper
 
class  Scine::Sparrow::RM1MethodWrapper
 
class  Scine::Sparrow::PM3MethodWrapper
 

Detailed Description