diff --git a/sammy/src/dat/mdat6.f b/sammy/src/dat/mdat6.f index 274da6c14c48c1701eba48d72648e2f94707fd11..817ec73bf165e428ec1918b92f7a0df1435b820d 100644 --- a/sammy/src/dat/mdat6.f +++ b/sammy/src/dat/mdat6.f @@ -1,4 +1,5 @@ C +C TODO: These subroutines should be moved to the IO library C C -------------------------------------------------------------- C diff --git a/sammy/src/fgm/FreeGasDopplerBroadening_M.f90 b/sammy/src/fgm/FreeGasDopplerBroadening_M.f90 index 0def92007d34e92731ba3ae38e356ec8476bbfe2..f1fa9e85abf862c15a4c631f1207a433720091f0 100644 --- a/sammy/src/fgm/FreeGasDopplerBroadening_M.f90 +++ b/sammy/src/fgm/FreeGasDopplerBroadening_M.f90 @@ -55,7 +55,7 @@ subroutine FreeGasDopplerBroadening_addSelfData(this, self, copyData, ipos) call this%getData(data) - ! Note this is before the switch, which happens in call to braoden + ! Note this is before the switch, which happens in call to broaden DO Iso=1,this%dataSelf%getNumberIsotopes() do jdat = 1, this%getNumEnergyUnbroadened() DO Ii=0,this%numPar diff --git a/sammy/src/fgm/mfgm0.f90 b/sammy/src/fgm/mfgm0.f90 index a14781166de2e8ea142e1aab9ac59f426c1fcb67..a6e589d158db9faa77b0beea3d38d0496eea714a 100644 --- a/sammy/src/fgm/mfgm0.f90 +++ b/sammy/src/fgm/mfgm0.f90 @@ -18,7 +18,7 @@ use AllocateFunctions_m use rsl7_m use mxct27_m - use mfgn1_m + use mfgm1_m use SammyLptPrinting_m use FreeGasDopplerBroadening_M use EndfData_common_m, only : expData diff --git a/sammy/src/fgm/mfgm1.f90 b/sammy/src/fgm/mfgm1.f90 index b0f2513d20dfc7431e29914552ab874f02b53b63..07a961af5453051afb5f9226c610308129292f15 100644 --- a/sammy/src/fgm/mfgm1.f90 +++ b/sammy/src/fgm/mfgm1.f90 @@ -1,4 +1,4 @@ -module mfgn1_m +module mfgm1_m contains ! ! @@ -145,7 +145,7 @@ contains ! IF (Em.LT.Emins) THEN ! These points are the very low-energy limit, -! of very little interest, ergo "stetd" +! of very little interest, ergo copy as is IF (broadener%getEnergyUnbroadened(iposVel+1).GE.Emin) THEN Now = Now + 1 call broadener%transferUnbroadenedAll(iposVel, iso, Kvtemp, IflmscKsitmp) @@ -156,7 +156,7 @@ contains END IF ELSE IF (Em.GT.Emaxs) THEN ! These points are the very high-energy limit, -! of very little interest, ergo "stetd" +! of very little interest, ergo copy as is ee = 0.0 if (iposVel.gt.1) ee = broadener%getEnergyUnbroadened(iposVel-1) IF (ee.LE.Emax) THEN @@ -269,4 +269,4 @@ contains RETURN ! END -end module mfgn1_m +end module mfgm1_m diff --git a/sammy/src/fgm/mfgm3.f90 b/sammy/src/fgm/mfgm3.f90 index f2d357104718c6f5ba0e1d9620d480f3e7405232..eadfa814295942440f05cd509e91294fe7726c65 100644 --- a/sammy/src/fgm/mfgm3.f90 +++ b/sammy/src/fgm/mfgm3.f90 @@ -1,4 +1,4 @@ -module mfgm3_M +module mfgm3_m implicit none contains ! @@ -90,4 +90,4 @@ module mfgm3_M ! RETURN END SUBROUTINE Stetd -end module mfgm3_M +end module mfgm3_m diff --git a/sammy/src/ort/mort.f b/sammy/src/ort/mort.f index bfa8b78e4f3fa5ab61d9c6159120a8befc41fadb..1c2112cef4f680a9ee1e297899b55279472e2148 100644 --- a/sammy/src/ort/mort.f +++ b/sammy/src/ort/mort.f @@ -148,7 +148,7 @@ C end if end if call broadener%setUnbroadenedGrid(2, ii) - call broadener%setBroadenedGrid(1, ii) ! always finish on experinental grid + call broadener%setBroadenedGrid(1, ii) ! always finish on experimental grid CALL Orresb (broadener, A_Iweigh, A_Iwts, Dist) CALL Showwe (A_It , A_Iwts, Dt, Ipnts) diff --git a/sammy/src/sam/sammy_api_m.f90 b/sammy/src/sam/sammy_api_m.f90 index 14f17365ad69c4db2ea99f2f0bcdccd926c9affc..5cdaf7b42e031f8d098f34aafb997bf43587fc23 100755 --- a/sammy/src/sam/sammy_api_m.f90 +++ b/sammy/src/sam/sammy_api_m.f90 @@ -32,7 +32,7 @@ module sammy_api_m integer::K_Stop CHARACTER(len=6)::Where_To_Next - logical::readData, everHadMoreData + logical::readData, fullReadIsNeeded contains ! ! after sammy_init @@ -65,7 +65,7 @@ contains ! ! TODO: Separate making the auxillary grid from data reading and make it a separate function ! TODO: Separate conversion to/from U parameters from reading (some already is), and call directly from API - ! TODO: Make writing new data a separate function from samfin_0 and call from API + ! TODO: Make writing new input and parameter file a separate function from samfin_0 and call from API subroutine sammy_init_api(infile,sizeData) BIND(C,name="sammy_init_api") character(kind = C_CHAR), dimension(*), intent(in) :: infile character(len=:), allocatable :: filename @@ -156,7 +156,7 @@ contains end if end if readData = .false. - everHadMoreData = .false. + fullReadIsNeeded = .false. ! now all input is read at least once @@ -253,7 +253,7 @@ contains Where_To_Next = 'samthe' else if (moreData) then Where_To_Next = 'samdat' - everHadMoreData = .true. + fullReadIsNeeded = .true. end if end subroutine perform_fit @@ -274,7 +274,7 @@ contains logical::fullRead fullRead = .not.readData - if (everHadMoreData) fullRead = .true. + if (fullReadIsNeeded) fullRead = .true. if (fullRead) then call Samdat_0(.false.) else diff --git a/sammy/src/squ/msqu0.f b/sammy/src/squ/msqu0.f index f0ba226fe18c8536d4b44d5ec1bde23ec2190d15..cd2410bfa0a088bf54205a11173dae4f0b78977b 100644 --- a/sammy/src/squ/msqu0.f +++ b/sammy/src/squ/msqu0.f @@ -35,8 +35,8 @@ C Ii = 2*Nvpall + Nvpall**2 I = Idimen (Ii, 1, 'Ii, 1') I = Idimen (I, -1, 'I, -1') - I = Idimen (0, 0, '0, 0') ! estimated - I = Idimen (0, 0, '0, 0') ! really used + I = Idimen (0, 0, '0, 0') ! print estimated memory usage + I = Idimen (0, 0, '0, 0') ! print memory usage that is really used END IF END IF C diff --git a/sammy/src/the/DopplerAndResolutionBroadener.cpp b/sammy/src/the/DopplerAndResolutionBroadener.cpp index f12efc56e132203826bde7795e31b362beb99f34..11f1365925b04cd2d01481f3260d13095aafcd58 100644 --- a/sammy/src/the/DopplerAndResolutionBroadener.cpp +++ b/sammy/src/the/DopplerAndResolutionBroadener.cpp @@ -34,7 +34,7 @@ void DopplerAndResolutionBroadener::setUnbroadenedGrid(int index, int pos) { void DopplerAndResolutionBroadener::setBroadenedGrid(int index, int pos){ if( index < 0) throw std::runtime_error("index for grid is out of range of available energy grids"); - // we usually expect a experimental grid and an auxillary grid + // we usually expect an experimental grid and an auxillary grid // However, sometimes the experimental and auxillary grid is the same // So if the calling program wants the auxillary grid it can always ask // for the grid at index 1, if that doesn't exist, the experimental diff --git a/sammy/src/the/DopplerAndResolutionBroadener.h b/sammy/src/the/DopplerAndResolutionBroadener.h index b582ab45d0539d6d03faa9ab35c7038ee94e78a7..d48ab7b4cc2d5c1723c684ec4a8ce1d80d8ff13d 100644 --- a/sammy/src/the/DopplerAndResolutionBroadener.h +++ b/sammy/src/the/DopplerAndResolutionBroadener.h @@ -82,7 +82,6 @@ public: * * @param index the index for the original grid in GridDataList * @param pos the position of the energy in the original grid - * @param off the offset from which to start the energy */ void setUnbroadenedGrid(int index, int pos=0); @@ -93,7 +92,6 @@ public: * * @param index the index for the original grid in GridDataList * @param pos the position of the energy in the original grid - * @param off the offset from which to start the energy */ void setBroadenedGrid(int index, int pos=0); @@ -157,6 +155,11 @@ public: */ void insertEnergyBroadened(int pos); + /** + * Get the object where cross section and derivatives are kept + * + * @return the object where cross section and derivatives are kept + */ DerivativeHandler & getData() { return handler; } /** @@ -181,6 +184,16 @@ public: int getEmInUnbroadened(double em, int istart) const; + /** + * Get the number of points between elow and ehigh. + * This is used to determine how far to extend the integral if + * broadening. + * + * The value can be retrieved via getIntegralSpan + * + * @param elow the lower energy for the integral + * @param ehigh the upper energy for the integral + */ void calcIntegralSpan(double elow, double ehigh); private: int numIso; // number of isotopes (if 1 - always use shared value)