Add a test case that tests previously untested code in the aux grid generation

sammy/samtry/tr008/answers/rdd.lpt

+
+ **********************************************************
+ ***                                                    ***
+ ***                 SAMMY Version 8.1.0                ***
+ ***                                                    ***
+ **********************************************************
+
+ Name of input file: 
+ >>> t008d.inp                                                              <<<
+ Name of parameter file: 
+ >>> t008d.par                                                              <<<
+ Values used for constants -- Kvendf=1
+   mass of neutron =   1.008664915780000 in amu
+   sqrt(m/2)       =  72.298252185556009
+   sqrt(2m)/hbar   =   0.000219680781008
+   Boltzman        =   0.000086173420000
+   finestructure   =   0.034447600026222 in 1/(amu*F)
+ Name of experimental data file is: 
+ >>> t008d.dat                                                              <<<
+ Emin and Emax =    100.000       300.000    
+
+
+ *****************************************************************************
+ *****                                                                   *****
+ ***** Pu239 (n,trs) (ND1988 MITO) 6Li scint. det. 17.883-m flight path  *****
+ ***** n=1./13.56=0.07                                                   *****
+ *****************************************************************************
+
+
+ Input quantities from line number 2 are:
+   Alfnm1, Alfnm2 = ##Pu239     ##       Atomic Weight = 239.052160
+   Nepnts Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      1      0      0      0      0      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2   9437      0
+Adjusted  Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      1     50      0      9      5      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2   9437      0
+
+
+ TARGET ELEMENT IS Pu239     
+ ATOMIC WEIGHT IS 239.052160
+
+
+ *********** Alphanumeric Control Information *********
+
+ FGM                                     
+ TWENTY                                  
+ EV                                      
+ DO NOT SOLVE BAYES EQUATIONS            
+ REICH MOORE FORMALISM IS WANTED         
+ QUANTUM NUMBERS ARE IN PARAMETER FILE   
+ USE NO CUTOFF FOR DERIVATIVES OR CROSS S
+ ENERGY UNCERTAINTIES ARE AT THE END OF L
+                                         
+ **** end of Alphanumeric Control Information *********
+
+
+
+ --------------------------
+ Particle-Pair definitions
+ --------------------------
+
+ Particle-Pair #  1 is "n+239Pu "      Lpent=1 Ishift=0
+         Particle a is "neutron "   Z=  0   Spin=  0.5   Mass=  1.0086649200
+         Particle b is "Other   "   Z=  0   Spin=  0.5   Mass=239.0521630000
+                                                Q-value=        0.0000000000
+
+ Particle-Pair #  2 is "Fission1"      Lpent=0 Ishift=0
+         Particle a is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+         Particle b is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+                                                Q-value=        0.0000000000
+
+ Particle-Pair #  3 is "Fission2"      Lpent=0 Ishift=0
+         Particle a is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+         Particle b is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+                                                Q-value=        0.0000000000
+
+ Particle-Pair #  4 is "n+240Pu "      Lpent=1 Ishift=0
+         Particle a is "neutron "   Z=  0   Spin=  0.5   Mass=  1.0086649200
+         Particle b is "Other   "   Z=  0   Spin=  0.0   Mass=240.0538130000
+                                                Q-value=        0.0000000000
+
+ Particle-Pair #  5 is "Fiss_2n1"      Lpent=0 Ishift=0
+         Particle a is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+         Particle b is "fission "   Z=  0   Spin=  0.0   Mass=  0.0000000000
+                                                Q-value=        0.0000000000
+
+ Effective Temperature= 106.00000
+    Flight Path=  17.88300 Meters +/-   0.02500/2 Meters
+      Deltae=     0.00000    Deltag=     0.00000
+      Delttt=     0.00000    Elowbr=  0.00000000
+
+ Target Thickness=  0.7470E-01
+
+ **** Data type is <<< TRANSMISSION         >>> ****
+
+ Spin of incident particle is  0.5
+ 
+
+ Total  number of resonances is 4538
+ Number of particle channels is    3
+ Number of spin groups is          3
+ Number of flagged parametrs is   18
+ Number of varied parameters is   18
+ Number of nuclides is             2
+     Emind               Emins               Eminr               Emin
+       98.8105778830       99.4292787977       99.4292787977      100.0000000000
+     Emax                Emaxr               Emaxs               Emaxd
+      300.0000000000      301.7121636070      301.7121636070      302.7925658506
+
+   DOPPLER WIDTHS
+   Nuclide     Doppler Width (eV)           Doppler FWHM (eV)
+   Number      at Emin       at Emax        at Emin       at Emax
+      1       0.124164      0.215059      0.206747      0.358096    
+      2       0.123905      0.214610      0.206315      0.357349    
+
+ Gaussian Resolution Width at Emin =  0.114144     and at Emax =  0.342433    
+  
+      E(eV)     Dopp_FWHM(eV)   Resol_FWHM(eV)   Both_FWHM(eV)
+    100.000000         0.2067         0.1901         0.2808
+    200.000000         0.2924         0.3801         0.4796
+    300.000000         0.3581         0.5702         0.6733
+  
+
+ Energy range of data is from 1.00000E+02 to 3.00000E+02 eV.
+ Number of experimental data points =     273
+
+
+ ** 97 resonances have fewer than 9 points across width
+ Number of points in auxiliary grid =    3347
+ No resolution broadening occured      28 times of a possible     273
+
+ CUSTOMARY CHI SQUARED =   20622.3    
+ CUSTOMARY CHI SQUARED DIVIDED BY NDAT =   75.5394    
+ Normal finish to SAMMY

sammy/samtry/tr008/ctest.inp

@@ -7,4 +7,6 @@ sammy ctest_bb ctest_bb.cfg
 ##############################################################################
 sammy ctest_cc ctest_cc.cfg
 ##############################################################################
+#make sure some parts of the auxillary grid routine are used
+sammy ctest_dd ctest_dd.cfg
 #rm -f *.lis

sammy/samtry/tr008/ctest_dd

+t008d.inp
+t008d.par
+t008d.dat 100.0 300.0
+

sammy/samtry/tr008/ctest_dd.cfg

+cp SAMMY.LPT results/rdd.lpt
+LPT answers/rdd.lpt results/rdd.lpt

sammy/samtry/tr008/t008d.inp

+Pu239 (n,trs) (ND1988 MITO) 6Li scint. det. 17.883-m flight path n=1./13.56=0.07374631268 a/b (increased by 1.013 as in the MITO paper)
+Pu239      239.05216   0.00001 5.0000E+3    0    1 0  0 0  0         0 2 2  9437
+FGM
+TWENTY
+EV
+DO NOT SOLVE BAYES EQUATIONS
+REICH-MOORE FORMALISM IS WANTED
+QUANTUM NUMBERS ARE IN PARAMETER FILE
+USE NO CUTOFF FOR DERIVATIVES OR CROSS SECTIONS
+ENERGY UNCERTAINTIES ARE AT THE END OF LINE
+
+   106.       17.883      .025      .0
+   9.41   7.4705e-02
+TRANSMISSION
+
+NUCLIDE MASSES AND ABUNDANCES FOLLOW
+239.05216   0.999600  0.100000 0 1 2
+240.05383   0.000400  0.100000 0 3
+