Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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LinearResponse Directory Reference
Directory dependency graph for LinearResponse:
src/Sparrow/Sparrow/Implementations/Nddo/TimeDependent/LinearResponse

Files

file  CISData.h [code]
 
file  CISLinearResponseTimeDependentCalculator.cpp
 
file  CISLinearResponseTimeDependentCalculator.h [code]
 Top class responsible for CIS calculations of excited states. This class calculates the CIS excited states via a direct algorithm to avoid the O(N^5) 4-index transformation. This class works for all the NDDO methods implemented in Sparrow: MNDO, AM1, PM3, RM1, PM6.
 
file  CISMatrixAOFockBuilder.cpp
 
file  CISMatrixAOFockBuilder.h [code]
 
file  CISMatrixAOFockBuilderFactory.h [code]
 
file  CISPseudoDensityBuilder.cpp
 
file  CISPseudoDensityBuilder.h [code]
 
file  CISSettings.h [code]
 
file  CISSigmaVectorEvaluator.cpp
 
file  CISSigmaVectorEvaluator.h [code]
 
file  CISSpinContaminator.cpp
 
file  CISSpinContaminator.h [code]