call: grid%destroy, somehow screws up the
expData object that it was added to.

Frame work for 0K cross section reconstruction from RR

See merge request rnsd/sammy!47

Brown, Jesse authored 3 years ago and Wiarda, Dorothea committed 3 years ago

to better reflect its purpose.

Address review comments

This way we can call it as a normal virtual function.

Let CrossSectionCalcDriver only have one CrossSectionCalculator

Unfortunately that needs to be a pointer to the
R-Matrix formalism that is actually used.

Currently only for MLBW.
The remaining ones come back once they
are converted to the new frame work

Except for File 3 added data

is now moved to mthe0.
xct, cro and mlb "just" do 0K reconstruction

A parent class (CrossSectionCalculator) allows to set some parameters and
functions common to all RR reconstruction codes.
Currently the only implementation is for MLBW (MlbwCrossCalc).
A driver class (CrossSectionCalcDriver) keeps track of the available
implementations for the RR and also provide and interface to all RR reconstructors.
For example calcCross will calculate the cross section for a given energy.
While not applicable for MLBW, cross section extends to angular if applicable.
The class ZeroKCrossCorrections has a CrossSectionCalcDriver and loops over
energies to calculate the cross section.

Add access to the R-external resonane parameters

See merge request rnsd/sammy!45

Add a reserve function to the GridData class
so that we can resize the vector more easily

Add fortran interfaces to Rexternal data
Use these access function in the
fortran code

Move the handling of the radius information to AdjustedRadiusData

See merge request rnsd/sammy!42

Only list spin groups to which the radii apply, not all spin groups
(affects lpt and par output)

Add an include that is necessary due to new Scale flags

Values and fit flags for user supplied radius information have been moved to a new class AdjustedRadiusData.
This allowed to remove arrays A_Ipreff, I_Ifleff, A_Ideeff, A_Iprtru, I_Ifltru, A_Idetru, I_Iigrra
The fit flags and uncertainty for the isotopic abundance have been moved to the SammyIsoInfo,
therefore eliminating the need for arrays I_Ifliso, A_Ideiso
In addition the information contained in A_Izkte, A_Izkfe, which was radius times K has been transferred
to RMatResonanceParam and getApt and getApe. The array A_Izke, which contains K has been retained
and A_Izkte, A_Izkfe are calculated by multiplying getApt and getApe by the appropriate value in A_Izke.
The functionality in the arrays I_Ifzkte and I_Ifzkfe (fit flag for radius by spin group and channel)
has been moved to appropriate functions in AdjustedRadiusData.

The array I_Ifzke used to denote the fit flag for the abundance per spin group.
Its functionality has been moved to SammySpinGroupInfo

add function to grab names of particle pairs

See merge request rnsd/sammy!41

Add C++ class to take derivative information and use it in SAMMY

See merge request rnsd/sammy!39

The current exception is mxct02, as we set up the
shared data in that function