File List

Here is a list of all documented files with brief descriptions:

[detail level 123456]

src
Readuct
App
Tasks
AfirOptimizationTask.h
BondOrderTask.h
BSplineInterpolationTask.h
GeometryOptimizationTask.h
HessianTask.h
IrcTask.h
NtOptimization2Task.h
NtOptimizationTask.h
SinglePointTask.h
Task.h
TaskFactory.h
TsOptimizationTask.h
io.h
main.cpp
Python
IoPython.cpp
PythonModule.cpp
TasksPython.cpp
Readuct
ElementaryStepOptimization
CostCalculators
CommonTerms.cpp
CommonTerms.h
CostCalculatorEditor.h
CostCombiner.h
CostCombinerEditor.h
ElasticPath.cpp
ElasticPath.h
ElasticPathEditor.cpp
ElasticPathEditor.h
Energy.cpp
Energy.h
EnergyEditor.cpp
EnergyEditor.h
IntegratingCostCalculator.cpp
IntegratingCostCalculator.h
ReactionPathCostCalculator.h
ReaductDefault.cpp
ReaductDefault.h
BinaryArrayIO.cpp
BinaryArrayIO.h
BSplineProfileCalculator.cpp
BSplineProfileCalculator.h
ElementaryStepOptimizer.h
ElementaryStepOptimizerSettings.h
EnergiesAndGradientsAlongSpline.h
MSVCCompatibility.h
PointSequence.h
ProfileEnergies.h
ReactionProfile.h
RecurringProfileCalculator.cpp
RecurringProfileCalculator.h
TypeConverter.cpp
TypeConverter.h
ReaductModule.cpp
ReaductModule.h
Tests
ElementaryStepOptimization
CommonTermsTest.cpp