diff --git a/sammy/src/endf/SammyResonanceInfo.h b/sammy/src/endf/SammyResonanceInfo.h
index 9e72b823d300378ce49ca71258a43569aed698a3..530c21c0d35d31cd4ce0a778af69356c19a9ef5f 100644
--- a/sammy/src/endf/SammyResonanceInfo.h
+++ b/sammy/src/endf/SammyResonanceInfo.h
@@ -110,55 +110,22 @@ namespace sammy{
bool getIncludeInCalc() const{
return includeInCalc;
}
-
- /**
- * Set the index of the covariance data for the resonance energy
- * If -1, the covariance matrix does not contain information for this
- * resonance energy
- *
- * @param index index of the covariance data for the resonance energy
- */
- void setEnergyCovarianceIndex(int index){
- if( (int)covarianceIndex.size() < 1) covarianceIndex.resize(1,-1);
- covarianceIndex[0] = index;
- }
-
- /**
- * Get the index of the covariance data for the resonance energy
- * If -1, the covariance matrix does not contain information for this
- * resonance energy
- * @return index of the covariance data for the resonance energy
- */
- int getEnergyCovarianceIndex() const{
- if( (int)covarianceIndex.size() < 1) return -1;
- return covarianceIndex[0];
- }
-
- /**
- * Set the index of the covariance data for the the indicated channel
- * If -1, the covariance matrix does not contain information for this
- * channel
- *
- * @param index index of the covariance data for this channel
- */
- void setChannelCovarianceIndex(int nc, int index){
- if( (int)covarianceIndex.size() < nc+2) covarianceIndex.resize(nc+2,-1);
- covarianceIndex[nc+1] = index;
- }
-
- /**
- * Get the index of the covariance data for the the indicated channel
- * If -1, the covariance matrix does not contain information for this
- * resonance energy
- * @return index of the covariance data for the resonance energy
- */
- int getChannelCovarianceIndex(int nc) const{
- if( (int)covarianceIndex.size() < nc+2) return -1;
- return covarianceIndex[nc+1];
- }
-
-
+ /* TODO: These functions are doing double duty right now: they are used
+ to set and get the "fit option" given in the input files, which is
+ 0,1, or 3 and they are used to get and set the covariance index.
+
+ We should break this into two functions/variables so that we can
+ expect when we will be getting/setting covariance indices or fitting
+ options.
+
+ Functions that need to change:
+ - setEnergyFitOption
+ - getEnergyFitOption
+ - setChannelFitOption
+ - getChannelFitOption
+ */
+
/**
* Set the fit option of the covariance data for the resonance energy.
*
diff --git a/sammy/src/endf/interface/cix/SammyResonanceInfo.cpp2f.xml b/sammy/src/endf/interface/cix/SammyResonanceInfo.cpp2f.xml
index 8628de98370f905d17e08088d7ab1e9be14cf6e1..8ce82e4cd5064dbffcf6d1f16511e4802e873f9c 100644
--- a/sammy/src/endf/interface/cix/SammyResonanceInfo.cpp2f.xml
+++ b/sammy/src/endf/interface/cix/SammyResonanceInfo.cpp2f.xml
@@ -26,19 +26,6 @@
<param name="incl" type="bool"/>
</method>
<method name="getIncludeInCalc" return_type="bool"/>
-
- <method name="setEnergyCovarianceIndex">
- <param name="index" type="int" offset="-1"/>
- </method>
- <method name="getEnergyCovarianceIndex" return_type="int"/>
-
- <method name="setChannelCovarianceIndex">
- <param name="nc" type="int" offset="-1"/>
- <param name="index" type="int" offset="-1"/>
- </method>
- <method name="getChannelCovarianceIndex" return_type="int">
- <param name="nc" type="int" offset="-1"/>
- </method>
<method name="setEnergyFitOption">
<param name="option" type="int"/>
diff --git a/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.cpp b/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.cpp
index f5fd7b876924e6a343f63ced781261749d6b4483..88b9473d3eff7109862c28323397393012348c7a 100644
--- a/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.cpp
+++ b/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.cpp
@@ -2,7 +2,7 @@
* This file has been dynamically generated by Class Interface Xml (CIX)
* DO NOT MODIFY THIS FILE -- CHANGES WILL BE OVERWRITTEN UPON REGENERATION
* If changes need to occur, modify the appropriate CIX xml file
-* Date Generated: Fri Feb 19 11:38:39 EST 2021
+* Date Generated: Tue Apr 05 15:00:41 EDT 2022
* If any issues are experiences with this generated file that cannot be fixed
* with adjustment of the CIX xml file, please contact Robert A. Lefebvre, raq@ornl.gov
*/
@@ -54,26 +54,6 @@ bool SammyResonanceInfo_getIncludeInCalc(void * SammyResonanceInfo_ptr)
return ((SammyResonanceInfo*)SammyResonanceInfo_ptr)->getIncludeInCalc();
}
-void SammyResonanceInfo_setEnergyCovarianceIndex(void * SammyResonanceInfo_ptr,int * index)
-{
- ((SammyResonanceInfo*)SammyResonanceInfo_ptr)->setEnergyCovarianceIndex(*index);
-}
-
-int SammyResonanceInfo_getEnergyCovarianceIndex(void * SammyResonanceInfo_ptr)
-{
- return ((SammyResonanceInfo*)SammyResonanceInfo_ptr)->getEnergyCovarianceIndex();
-}
-
-void SammyResonanceInfo_setChannelCovarianceIndex(void * SammyResonanceInfo_ptr,int * nc,int * index)
-{
- ((SammyResonanceInfo*)SammyResonanceInfo_ptr)->setChannelCovarianceIndex(*nc,*index);
-}
-
-int SammyResonanceInfo_getChannelCovarianceIndex(void * SammyResonanceInfo_ptr,int * nc)
-{
- return ((SammyResonanceInfo*)SammyResonanceInfo_ptr)->getChannelCovarianceIndex(*nc);
-}
-
void SammyResonanceInfo_setEnergyFitOption(void * SammyResonanceInfo_ptr,int * option)
{
((SammyResonanceInfo*)SammyResonanceInfo_ptr)->setEnergyFitOption(*option);
diff --git a/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.h b/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.h
index 5d89f5524ccc339119f9c48d3fbd0b5ad7145fc8..324ae052fa92fb587a251329e3b78c688acd0f6e 100644
--- a/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.h
+++ b/sammy/src/endf/interface/cpp/SammyResonanceInfoInterface.h
@@ -2,7 +2,7 @@
* This file has been dynamically generated by Class Interface Xml (CIX)
* DO NOT MODIFY THIS FILE -- CHANGES WILL BE OVERWRITTEN UPON REGENERATION
* If changes need to occur, modify the appropriate CIX xml file
-* Date Generated: Fri Feb 19 11:38:39 EST 2021
+* Date Generated: Tue Apr 05 15:00:41 EDT 2022
* If any issues are experiences with this generated file that cannot be fixed
* with adjustment of the CIX xml file, please contact Robert A. Lefebvre, raq@ornl.gov
*/
@@ -22,10 +22,6 @@ void SammyResonanceInfo_setResonanceIndex(void * SammyResonanceInfo_ptr,int * in
int SammyResonanceInfo_getResonanceIndex(void * SammyResonanceInfo_ptr);
void SammyResonanceInfo_setIncludeInCalc(void * SammyResonanceInfo_ptr,bool * incl);
bool SammyResonanceInfo_getIncludeInCalc(void * SammyResonanceInfo_ptr);
-void SammyResonanceInfo_setEnergyCovarianceIndex(void * SammyResonanceInfo_ptr,int * index);
-int SammyResonanceInfo_getEnergyCovarianceIndex(void * SammyResonanceInfo_ptr);
-void SammyResonanceInfo_setChannelCovarianceIndex(void * SammyResonanceInfo_ptr,int * nc,int * index);
-int SammyResonanceInfo_getChannelCovarianceIndex(void * SammyResonanceInfo_ptr,int * nc);
void SammyResonanceInfo_setEnergyFitOption(void * SammyResonanceInfo_ptr,int * option);
int SammyResonanceInfo_getEnergyFitOption(void * SammyResonanceInfo_ptr);
void SammyResonanceInfo_setChannelFitOption(void * SammyResonanceInfo_ptr,int * nc,int * option);
diff --git a/sammy/src/endf/interface/fortran/SammyResonanceInfo_I.f90 b/sammy/src/endf/interface/fortran/SammyResonanceInfo_I.f90
index 0eff114efcce063162dfb48385cc2767bfb7b29d..b0f8c1fb357b2b3c626490bce753f18b62c3760f 100644
--- a/sammy/src/endf/interface/fortran/SammyResonanceInfo_I.f90
+++ b/sammy/src/endf/interface/fortran/SammyResonanceInfo_I.f90
@@ -2,7 +2,7 @@
!! This file has been dynamically generated by Class Interface Xml (CIX)
!! DO NOT MODIFY THIS FILE -- CHANGES WILL BE OVERWRITTEN UPON REGENERATION
!! If changes need to occur, modify the appropriate CIX xml file
-!! Date Generated: Fri Feb 19 11:38:39 EST 2021
+!! Date Generated: Tue Apr 05 15:00:41 EDT 2022
!! If any issues are experiences with this generated file that cannot be fixed
!! with adjustment of the CIX xml file, please contact Robert A. Lefebvre, raq@ornl.gov
!!/
@@ -59,30 +59,6 @@ logical(C_BOOL) function f_SammyResonanceInfo_getIncludeInCalc(SammyResonanceInf
implicit none
type(C_PTR), value :: SammyResonanceInfo_ptr;
end function
-subroutine f_SammyResonanceInfo_setEnergyCovarianceIndex(SammyResonanceInfo_ptr, index ) BIND(C,name="SammyResonanceInfo_setEnergyCovarianceIndex")
- use,intrinsic :: ISO_C_BINDING
- implicit none
- type(C_PTR), value :: SammyResonanceInfo_ptr;
- integer(C_INT) :: index;
-end subroutine
-integer(C_INT) function f_SammyResonanceInfo_getEnergyCovarianceIndex(SammyResonanceInfo_ptr ) BIND(C,name="SammyResonanceInfo_getEnergyCovarianceIndex")
- use,intrinsic :: ISO_C_BINDING
- implicit none
- type(C_PTR), value :: SammyResonanceInfo_ptr;
-end function
-subroutine f_SammyResonanceInfo_setChannelCovarianceIndex(SammyResonanceInfo_ptr, nc,index ) BIND(C,name="SammyResonanceInfo_setChannelCovarianceIndex")
- use,intrinsic :: ISO_C_BINDING
- implicit none
- type(C_PTR), value :: SammyResonanceInfo_ptr;
- integer(C_INT) :: nc;
- integer(C_INT) :: index;
-end subroutine
-integer(C_INT) function f_SammyResonanceInfo_getChannelCovarianceIndex(SammyResonanceInfo_ptr, nc ) BIND(C,name="SammyResonanceInfo_getChannelCovarianceIndex")
- use,intrinsic :: ISO_C_BINDING
- implicit none
- type(C_PTR), value :: SammyResonanceInfo_ptr;
- integer(C_INT) :: nc;
-end function
subroutine f_SammyResonanceInfo_setEnergyFitOption(SammyResonanceInfo_ptr, option ) BIND(C,name="SammyResonanceInfo_setEnergyFitOption")
use,intrinsic :: ISO_C_BINDING
implicit none
diff --git a/sammy/src/endf/interface/fortran/SammyResonanceInfo_M.f90 b/sammy/src/endf/interface/fortran/SammyResonanceInfo_M.f90
index d96a3d2661a05028cfa002865a2e06b2e9207aa0..882ef618b65504b0f325fd567a8c3908ad2ee561 100644
--- a/sammy/src/endf/interface/fortran/SammyResonanceInfo_M.f90
+++ b/sammy/src/endf/interface/fortran/SammyResonanceInfo_M.f90
@@ -2,7 +2,7 @@
!! This file has been dynamically generated by Class Interface Xml (CIX)
!! DO NOT MODIFY THIS FILE -- CHANGES WILL BE OVERWRITTEN UPON REGENERATION
!! If changes need to occur, modify the appropriate CIX xml file
-!! Date Generated: Fri Feb 19 11:38:39 EST 2021
+!! Date Generated: Tue Apr 05 15:00:41 EDT 2022
!! If any issues are experiences with this generated file that cannot be fixed
!! with adjustment of the CIX xml file, please contact Robert A. Lefebvre, raq@ornl.gov
!!/
@@ -22,10 +22,6 @@ type SammyResonanceInfo
procedure, pass(this) :: getResonanceIndex => SammyResonanceInfo_getResonanceIndex
procedure, pass(this) :: setIncludeInCalc => SammyResonanceInfo_setIncludeInCalc
procedure, pass(this) :: getIncludeInCalc => SammyResonanceInfo_getIncludeInCalc
- procedure, pass(this) :: setEnergyCovarianceIndex => SammyResonanceInfo_setEnergyCovarianceIndex
- procedure, pass(this) :: getEnergyCovarianceIndex => SammyResonanceInfo_getEnergyCovarianceIndex
- procedure, pass(this) :: setChannelCovarianceIndex => SammyResonanceInfo_setChannelCovarianceIndex
- procedure, pass(this) :: getChannelCovarianceIndex => SammyResonanceInfo_getChannelCovarianceIndex
procedure, pass(this) :: setEnergyFitOption => SammyResonanceInfo_setEnergyFitOption
procedure, pass(this) :: getEnergyFitOption => SammyResonanceInfo_getEnergyFitOption
procedure, pass(this) :: setChannelFitOption => SammyResonanceInfo_setChannelFitOption
@@ -92,32 +88,6 @@ function SammyResonanceInfo_getIncludeInCalc(this) result(result2Return)
logical(C_BOOL):: result2Return
result2Return=f_SammyResonanceInfo_getIncludeInCalc(this%instance_ptr)
end function
-subroutine SammyResonanceInfo_setEnergyCovarianceIndex(this, index)
- implicit none
- class(SammyResonanceInfo)::this
- integer(C_INT)::index
- call f_SammyResonanceInfo_setEnergyCovarianceIndex(this%instance_ptr, index-1)
-end subroutine
-function SammyResonanceInfo_getEnergyCovarianceIndex(this) result(result2Return)
- implicit none
- class(SammyResonanceInfo)::this
- integer(C_INT):: result2Return
- result2Return=f_SammyResonanceInfo_getEnergyCovarianceIndex(this%instance_ptr) + 1
-end function
-subroutine SammyResonanceInfo_setChannelCovarianceIndex(this, nc, index)
- implicit none
- class(SammyResonanceInfo)::this
- integer(C_INT)::nc
- integer(C_INT)::index
- call f_SammyResonanceInfo_setChannelCovarianceIndex(this%instance_ptr, nc-1,index-1)
-end subroutine
-function SammyResonanceInfo_getChannelCovarianceIndex(this, nc) result(result2Return)
- implicit none
- class(SammyResonanceInfo)::this
- integer(C_INT)::nc
- integer(C_INT):: result2Return
- result2Return=f_SammyResonanceInfo_getChannelCovarianceIndex(this%instance_ptr, nc-1) + 1
-end function
subroutine SammyResonanceInfo_setEnergyFitOption(this, option)
implicit none
class(SammyResonanceInfo)::this
diff --git a/sammy/src/io/Hdf5IO.cpp b/sammy/src/io/Hdf5IO.cpp
index b65a43dfbb756ded5b4c80fd7b91285784df7d04..d3da2fbbef81062186794bbaa0ad9aae14b426f1 100644
--- a/sammy/src/io/Hdf5IO.cpp
+++ b/sammy/src/io/Hdf5IO.cpp
@@ -103,7 +103,7 @@ namespace sammy {
void Hdf5IO::writeRPCM(CovarianceData & cov,
SammyRMatrixParameters & resParData,
- std::string hdf5Filename,
+ const std::string & hdf5Filename,
int rpcmIsReduced){
if( rpcmIsReduced < 0 || rpcmIsReduced > 1 ){
std::string errmsg("integer rpcmIsReduced must be 0 || 1");
@@ -113,23 +113,25 @@ namespace sammy {
std::cout << "writing resonance covariance to HDF5 file..." << std::endl;
std::cout << "--------------------------------------------" << std::endl;
+ // ---- set up the parameter with u-param to start ----------
std::vector<double> param;
int numParam = cov.getNumTotalParam();
endf::ResonanceCovariance * parCov;
- // ---- get parameter covariance and parameters out ---------
+ for( int i=0; i<numParam; ++i ) param.push_back(cov.getUParamValue(i));
+ // ---- get appropriate (p||u) covariance and parameters ----
if( rpcmIsReduced ){
parCov = cov.getUCovariance();
- for( int i=0; i<numParam; ++i ) param.push_back(cov.getUParamValue(i));
}
- else{
+ else{ // get the physical pars
CovToolBox ctb;
- param = ctb.getPhysParam(resParData);
+ ctb.swapToPhysParam(resParData,param);
parCov = cov.getCovariance();
}
// ---- check if length of params match covariance ----------
int numRows = parCov->getNumRows();
- if( numParam != numRows ) {
- std::cerr << "numParam != numRows of covariance!" << std::endl;
+ if( numParam != numRows || numRows != param.size() ) {
+ std::string msg("covariance and parameters don't match in length!");
+ throw std::invalid_argument(msg);
}
double data[numRows][numRows];
@@ -148,13 +150,13 @@ namespace sammy {
cdim[0] = numRows;
cdim[1] = cdim[0];
int crank = sizeof(cdim) / sizeof(hsize_t);
- std::string covarname("/uCovar/");
+ std::string covarname("/covar/");
// --- param space -----
hsize_t pdim[1];
pdim[0] = numParam;
int prank = sizeof(pdim) / sizeof(hsize_t);
- std::string paramname("/uParam/");
+ std::string paramname("/param/");
H5::DataSpace cspace(crank,cdim);
H5::DataSpace pspace(prank,pdim);
@@ -175,8 +177,8 @@ namespace sammy {
try{
H5::H5File file(hdf5Filename, H5F_ACC_RDONLY);
- H5::DataSet h5covSet = file.openDataSet( "uCovar" );
- H5::DataSet h5parSet = file.openDataSet( "uParam" );
+ H5::DataSet h5covSet = file.openDataSet( "covar" );
+ H5::DataSet h5parSet = file.openDataSet( "param" );
H5::DataSpace h5covSpace = h5covSet.getSpace();
H5::DataSpace h5parSpace = h5parSet.getSpace();
// --- get dimensions of data to size local arrays
diff --git a/sammy/src/io/Hdf5IO.h b/sammy/src/io/Hdf5IO.h
index fce378ccbcd22e87e4eda36441ee82b73c0ce7f7..99091644654c8674adaff00e56d4e41ec8c87973 100644
--- a/sammy/src/io/Hdf5IO.h
+++ b/sammy/src/io/Hdf5IO.h
@@ -67,14 +67,14 @@ namespace sammy{
************************************************************/
void writeRPCM(CovarianceData & cov,
SammyRMatrixParameters & resParData,
- std::string hdf5Filename,
+ const std::string & hdf5Filename,
int rpcmIsReduced);
/*************************************************************
* Read the resonance parameter covariance matrix from an HDF5
* file which was written by Hdf5IO::writeRPCM()
*
- * @param cov class that we fill with param. covariance info
+ * @param cov class to be filled with param. covariance info
* @param hdf5filename the string specifying the H5 file name
************************************************************/
void readRPCM(CovarianceData & cov,std::string hdf5Filename);
diff --git a/sammy/src/salmon/CovToolBox.cpp b/sammy/src/salmon/CovToolBox.cpp
index 0b2c7284edfb6ff789b5212c829be9596fdfc9b5..fee630c89daaf2da0c8266ef38ba036a0d2695e2 100644
--- a/sammy/src/salmon/CovToolBox.cpp
+++ b/sammy/src/salmon/CovToolBox.cpp
@@ -49,34 +49,42 @@ namespace sammy{
}
}
- std::vector<double> CovToolBox::getPhysParam(SammyRMatrixParameters & resParData){
+ void CovToolBox::swapToPhysParam(SammyRMatrixParameters & resParData,
+ std::vector<double> & physParam){
// --------------- grab all the *varied* pars --------------------------
+ int maxInd = physParam.size()-1;
int nr = resParData.getNumResonances();
- std::vector<double> physParam;
- for(int iRes =0;iRes<nr;++iRes){ // loop over resonances
+ int covIndex = 0;
+ // loop over resonances
+ for(int iRes =0;iRes<nr;++iRes){
sammy::SammyResonanceInfo *resInfo = resParData.getResonanceInfo(iRes);
int iGrp = resInfo->getSpinGroupIndex();
endf::RMatResonance *resonance = resParData.getResonance(resInfo);
sammy::SammySpinGroupInfo *spinInfo = resParData.getSpinGroupInfo(iGrp);
-
int parPerRes = spinInfo->getNumResPar();
- for(int par=0;par<parPerRes;++par){ // loop over par's for each res
- int covInd = 0; // >0 means varied or PUP'd
+
+ // loop over par's for each res
+ for(int par=0;par<parPerRes;++par){
+ int covInd = 0; // >=0 means varied or PUP'd
if(par==0){
- covInd = resInfo->getEnergyFitOption();
- if( covInd>0 && covInd!=3 ){
- physParam.push_back(resonance->getEres());
+ covInd = resInfo->getEnergyFitOption()-1; //fortran indexed
+ if( covInd>=0 && covInd<=maxInd ){
+ physParam[covInd] = resonance->getEres();
}
}
else{
- covInd = resInfo->getChannelFitOption(par-1);
- if( covInd>0 && covInd!=3 ){
- physParam.push_back(resonance->getWidth(par-1));
+ covInd = resInfo->getChannelFitOption(par-1)-1; //fortran indexed
+ if( covInd>=0 && covInd<=maxInd ){
+ physParam[covInd] = resonance->getWidth(par-1);
}
}
+ // throw if we have an indexing mistake
+ if( covInd > maxInd ) {
+ std::string msg("covInd is incorrect for setting p-param!");
+ throw std::runtime_error(msg);
+ }
}
}
- return physParam;
}
}
\ No newline at end of file
diff --git a/sammy/src/salmon/CovToolBox.h b/sammy/src/salmon/CovToolBox.h
index b6a9df3a819268e8f4e8693ccca059c5334d5e3b..c2c149d575656b8670bcf5aa3e528991ac0cc2c3 100644
--- a/sammy/src/salmon/CovToolBox.h
+++ b/sammy/src/salmon/CovToolBox.h
@@ -33,13 +33,15 @@ namespace sammy {
endf::CrossCovList & cc);
/***********************************************************************
- * Find varied parameters fill a vector with them and return the
- * physical parameters in the rigid "SAMMY order" in a vector of doubles
+ * Find varied parameters and fill a vector of (typcially) u-params with
+ * the resonance physical parameters in the rigid "SAMMY order". Other
+ * than resonance parameters, u-params should = p-params
*
* @param resParData the full r-matrix parameters object
- * @return physParam vector of varied physical parameters
+ * @param physParam vector of varied physical parameters
**********************************************************************/
- std::vector<double> getPhysParam(SammyRMatrixParameters & resParData);
+ void swapToPhysParam(SammyRMatrixParameters & resParData,
+ std::vector<double> & physParam);
private:
diff --git a/sammy/src/sam/sammy_api_m.f90 b/sammy/src/sam/sammy_api_m.f90
index 5cdaf7b42e031f8d098f34aafb997bf43587fc23..b207c26cdd1fd58ae95038fe402e259d2f5c2b8c 100755
--- a/sammy/src/sam/sammy_api_m.f90
+++ b/sammy/src/sam/sammy_api_m.f90
@@ -1,5 +1,5 @@
module sammy_api_m
- use, intrinsic :: ISO_C_BINDING
+ use, intrinsic :: iso_c_binding
use, intrinsic :: iso_fortran_env ! input_unit
use SammyFlowControl_M
use over_common_m
@@ -182,11 +182,28 @@ contains
call Prepare_Storage (Nnndat)
end subroutine sammy_get_theory
+ subroutine sammy_calc_theory
+ if (urr_calc) then
+ call samacs_0
+ Where_To_Next = 'genfit'
+ else
+ CALL Samthe_0 ! 0K
+ call doppler_and_resolution_broadening() ! doppler and resolution broadening
+ Where_To_Next = 'genfit'
+ if (Kaverg.ne.0) Where_To_Next = 'samend'
+ IF (Kartgd.EQ.1) Where_To_Next = 'samend'
+ end if
+ end subroutine
+
subroutine sammy_advance_theory() BIND(C,name="sammy_advance_theory")
+ logical::moreData, moreIter
if (Where_To_Next.eq.'samthe') return
Where_To_Next = 'samfin'
- call sammy_do_segments('samthe')
+ ! call sammy_do_segments('samthe')
+ moreData = .false.
+ moreIter = .false.
+ call Samfin_0(moreData, moreIter) ! convert RR parameters
end subroutine sammy_advance_theory
subroutine sammy_do_segments(endSeg)
@@ -287,19 +304,6 @@ contains
Where_To_Next = 'samthe'
end subroutine
- subroutine sammy_calc_theory
- if (urr_calc) then
- call samacs_0
- Where_To_Next = 'genfit'
- else
- CALL Samthe_0 ! 0K
- call doppler_and_resolution_broadening() ! doppler and resolution broadening
- Where_To_Next = 'genfit'
- if (Kaverg.ne.0) Where_To_Next = 'samend'
- IF (Kartgd.EQ.1) Where_To_Next = 'samend'
- end if
- end subroutine
-
subroutine sammy_next_segment()
IF (Where_To_Next.EQ.Stop_Segment) THEN
K_Stop = K_STOP + 1
@@ -322,6 +326,7 @@ contains
ELSE
WRITE (6,10000) Where_To_Next
10000 FORMAT ('Where_To_Next is ', A6)
+ print *, "This is an unexpected route...gracefully failing."
STOP
END IF
end subroutine sammy_next_segment