diff --git a/sammy/src/amr/mamr2.f90 b/sammy/src/amr/mamr2.f90 index 3bac4e0299525afa3dc23a4f8ed66f9fa193c49e..2be1722f888d6bd71c061ad7f8fa825dd05afcf7 100644 --- a/sammy/src/amr/mamr2.f90 +++ b/sammy/src/amr/mamr2.f90 @@ -222,8 +222,8 @@ module amr2 ! call radFitFlags%addMatchingRadius(Dum(1)) Temp = Dum(2) - if (associated(dopplerOption%broadener)) then - call dopplerOption%broadener%setTemperature(temp) + if (associated(dopplerInfo%broadener)) then + call dopplerInfo%broadener%setTemperature(temp) end if Thick = Dum(3) Deltal = Dum(4) @@ -235,9 +235,9 @@ module amr2 Do2 = Dum(10) Dopple = Dum(11) if (Dopple.ne.0.0d0) then - dopplerOption%wantBroaden = .true. + dopplerInfo%wantBroaden = .true. else - dopplerOption%wantBroaden = .false. + dopplerInfo%wantBroaden = .false. end if call radFitFlags%setMatchingK(Dum(12)) Dist = Dum(13) diff --git a/sammy/src/blk/Broad_common.f90 b/sammy/src/blk/Broad_common.f90 index 8bdeaaf078f636fdc80eb53220c09dacd949aa88..d86a67729a0e225bdc2cd26612ab21fe2d01930b 100644 --- a/sammy/src/blk/Broad_common.f90 +++ b/sammy/src/blk/Broad_common.f90 @@ -50,7 +50,7 @@ module broad_common_m contains procedure, pass(this) :: setDopple => DopplerBroadenInfo_setDopple end type - type(DopplerBroadenInfo)::dopplerOption + type(DopplerBroadenInfo)::dopplerInfo type ResolutionBroadenInfo type(DopplerAndResolutionBroadener),pointer::orrRes ! oak ridge resolution function diff --git a/sammy/src/clm/dopush.f b/sammy/src/clm/dopush.f index cdc686cbd3b2ae4f431b439a382a6e9f2341bc2e..0feeb9accc5c1503bb17d265d0258c082f5fe48c 100644 --- a/sammy/src/clm/dopush.f +++ b/sammy/src/clm/dopush.f @@ -77,8 +77,8 @@ C *** INITIALIZATION OF CONSTANTS call expData%initialize() call grid%initialize() call expData%addGrid(grid) - allocate(dopplerOption%crystalLattice) - calc => dopplerOption%crystalLattice + allocate(dopplerInfo%crystalLattice) + calc => dopplerInfo%crystalLattice call calc%initialize(calcData, & expData, workArray) C @@ -175,13 +175,13 @@ C Zke = Twomhb*Arat Zkte = Zke * Ap - dopplerOption%crystalLattice%Mode_S_Norm = Mode_S_Norm + dopplerInfo%crystalLattice%Mode_S_Norm = Mode_S_Norm c C C C *** EFFECTIVE TEMPERATURE CALCULATION FOR CREATION OF Beta GRID Del_Beta = calc%Del_Phonon/calc%Tev - CALL Start_Clm (dopplerOption%crystalLattice, + CALL Start_Clm (dopplerInfo%crystalLattice, & Del_Beta) C *** INPUT -- Phonon, Tbeta, Del_Beta, N_Contin C *** OUTPUT -- Ppp, F0, Tbar @@ -277,7 +277,7 @@ C Tevf = calc%Tbeta*Tevf + 0.5d0*calc%Tsave Ne = K - 1 Dopplef = dSQRT(Tevf/Awr) - dopplerOption%wantBroaden = .true. + dopplerInfo%wantBroaden = .true. C C *** FREE GAZ, FREE GAZ AT EFFECTIVE TEMPERATURE AND C NUCLEAR CROSS-SECTION CALCULATIONS ON ADJUSTED ENERGY GRID diff --git a/sammy/src/clm/dopush3.f b/sammy/src/clm/dopush3.f index 3b48d09b1889a7e43c3fb16192bce847983290bf..38855a1f03f12d0f36a74892f8573887c3e26ff4 100644 --- a/sammy/src/clm/dopush3.f +++ b/sammy/src/clm/dopush3.f @@ -35,7 +35,7 @@ C C C EFFECTIVE TEMPERATURE CALCULATION FOR CREATION OF Beta GRID C - calc => dopplerOption%crystalLattice + calc => dopplerInfo%crystalLattice Recul = Ei*Rn Alpha = Recul/calc%Tev C diff --git a/sammy/src/convolution/DopplerAndResolutionBroadener.cpp b/sammy/src/convolution/DopplerAndResolutionBroadener.cpp index b972d63708767abc1e13c7ae40acd1687e0de60c..a63353c9a97a24560b43bf1065e4a3b0dd353f7c 100644 --- a/sammy/src/convolution/DopplerAndResolutionBroadener.cpp +++ b/sammy/src/convolution/DopplerAndResolutionBroadener.cpp @@ -265,7 +265,7 @@ void DopplerAndResolutionBroadener::ensureWorkGridLength(int length){ } } -void DopplerAndResolutionBroadener::setupBroadnener(bool moreBroadening, int num){ +void DopplerAndResolutionBroadener::setupBroadener(bool moreBroadening, int num){ const std::unique_ptr<GridData> & grid = gridList.getGrid(0); int numcro = 1; int ipos = 0; diff --git a/sammy/src/convolution/DopplerAndResolutionBroadener.h b/sammy/src/convolution/DopplerAndResolutionBroadener.h index 4e5224b874466be42fc8f10cdf671ff6aac34543..b3c6a265bd70ca33ea51db09464523d8c46b3e2a 100644 --- a/sammy/src/convolution/DopplerAndResolutionBroadener.h +++ b/sammy/src/convolution/DopplerAndResolutionBroadener.h @@ -261,7 +261,7 @@ public: * @param moreBroadening true if more broadening is to happen after * @param the number of parameters that have derivatives */ - void setupBroadnener(bool moreBroadening, int num); + void setupBroadener(bool moreBroadening, int num); /** * Indicate where broadenend data actually start on the diff --git a/sammy/src/convolution/interface/cix/DopplerAndResolutionBroadener.cpp2f.xml b/sammy/src/convolution/interface/cix/DopplerAndResolutionBroadener.cpp2f.xml index 21fe0cd08207b16b73822cad9b86ce724a46467e..af0dc3779a4b419d018d0560e56e0a46f8d569b1 100644 --- a/sammy/src/convolution/interface/cix/DopplerAndResolutionBroadener.cpp2f.xml +++ b/sammy/src/convolution/interface/cix/DopplerAndResolutionBroadener.cpp2f.xml @@ -89,7 +89,7 @@ <method name="setXoefWeights"> <param name="index" type="int" offset="-1"/> </method> - <method name="setupBroadnener"> + <method name="setupBroadener"> <param name="moreBroadening" type="bool"/> <param name="num" type="int"/> </method> diff --git a/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.cpp b/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.cpp index a28322e557405473b2030db4cdebbfef7d40cf7b..50feec0f176c96f7732209bfc5e91b30d47ff2c4 100644 --- a/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.cpp +++ b/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.cpp @@ -134,9 +134,9 @@ void DopplerAndResolutionBroadener_setXoefWeights(void * DopplerAndResolutionBro ((DopplerAndResolutionBroadener*)DopplerAndResolutionBroadener_ptr)->setXoefWeights(*index); } -void DopplerAndResolutionBroadener_setupBroadnener(void * DopplerAndResolutionBroadener_ptr,bool * moreBroadening,int * num) +void DopplerAndResolutionBroadener_setupBroadener(void * DopplerAndResolutionBroadener_ptr,bool * moreBroadening,int * num) { - ((DopplerAndResolutionBroadener*)DopplerAndResolutionBroadener_ptr)->setupBroadnener(*moreBroadening,*num); + ((DopplerAndResolutionBroadener*)DopplerAndResolutionBroadener_ptr)->setupBroadener(*moreBroadening,*num); } int DopplerAndResolutionBroadener_getNumParams(void * DopplerAndResolutionBroadener_ptr) diff --git a/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.h b/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.h index 090ad8ab3feca83171217855840ef2823ff3f867..14186fd61076fb758bba22e1c394f8f308245870 100644 --- a/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.h +++ b/sammy/src/convolution/interface/cpp/DopplerAndResolutionBroadenerInterface.h @@ -39,7 +39,7 @@ void DopplerAndResolutionBroadener_nullifyWorkGrid(void * DopplerAndResolutionBr double DopplerAndResolutionBroadener_getWorkData(void * DopplerAndResolutionBroadener_ptr,int * index,int * row,int * col); void DopplerAndResolutionBroadener_setWorkData(void * DopplerAndResolutionBroadener_ptr,int * index,int * row,int * col,double * val); void DopplerAndResolutionBroadener_setXoefWeights(void * DopplerAndResolutionBroadener_ptr,int * index); -void DopplerAndResolutionBroadener_setupBroadnener(void * DopplerAndResolutionBroadener_ptr,bool * moreBroadening,int * num); +void DopplerAndResolutionBroadener_setupBroadener(void * DopplerAndResolutionBroadener_ptr,bool * moreBroadening,int * num); int DopplerAndResolutionBroadener_getNumParams(void * DopplerAndResolutionBroadener_ptr); void DopplerAndResolutionBroadener_updateBroadenedOffset(void * DopplerAndResolutionBroadener_ptr,int * offSet); void DopplerAndResolutionBroadener_setLength(void * DopplerAndResolutionBroadener_ptr,int * l); diff --git a/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_I.f90 b/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_I.f90 index a9081732abb868e90b65aeb05475d8952338b42c..dfa816925c873b8c2112742aab87967809ec80c2 100644 --- a/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_I.f90 +++ b/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_I.f90 @@ -164,7 +164,7 @@ subroutine f_DopplerAndResolutionBroadener_setXoefWeights(DopplerAndResolutionBr type(C_PTR), value :: DopplerAndResolutionBroadener_ptr; integer(C_INT) :: index; end subroutine -subroutine f_DopplerAndResolutionBroadener_setupBroadnener(DopplerAndResolutionBroadener_ptr, moreBroadening,num ) BIND(C,name="DopplerAndResolutionBroadener_setupBroadnener") +subroutine f_DopplerAndResolutionBroadener_setupBroadener(DopplerAndResolutionBroadener_ptr, moreBroadening,num ) BIND(C,name="DopplerAndResolutionBroadener_setupBroadener") use,intrinsic :: ISO_C_BINDING implicit none type(C_PTR), value :: DopplerAndResolutionBroadener_ptr; diff --git a/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_M.f90 b/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_M.f90 index 9f64dc27ba717c23f87a2392de1754f4db64b2c6..d53ed0dbc79288de13c4e4611f0240490312fdac 100644 --- a/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_M.f90 +++ b/sammy/src/convolution/interface/fortran/DopplerAndResolutionBroadener_M.f90 @@ -39,7 +39,7 @@ type DopplerAndResolutionBroadener procedure, pass(this) :: getWorkData => DopplerAndResolutionBroadener_getWorkData procedure, pass(this) :: setWorkData => DopplerAndResolutionBroadener_setWorkData procedure, pass(this) :: setXoefWeights => DopplerAndResolutionBroadener_setXoefWeights - procedure, pass(this) :: setupBroadnener => DopplerAndResolutionBroadener_setupBroadnener + procedure, pass(this) :: setupBroadener => DopplerAndResolutionBroadener_setupBroadener procedure, pass(this) :: getNumParams => DopplerAndResolutionBroadener_getNumParams procedure, pass(this) :: updateBroadenedOffset => DopplerAndResolutionBroadener_updateBroadenedOffset procedure, pass(this) :: setLength => DopplerAndResolutionBroadener_setLength @@ -221,12 +221,12 @@ subroutine DopplerAndResolutionBroadener_setXoefWeights(this, index) integer(C_INT)::index call f_DopplerAndResolutionBroadener_setXoefWeights(this%instance_ptr, index-1) end subroutine -subroutine DopplerAndResolutionBroadener_setupBroadnener(this, moreBroadening, num) +subroutine DopplerAndResolutionBroadener_setupBroadener(this, moreBroadening, num) implicit none class(DopplerAndResolutionBroadener)::this logical(C_BOOL)::moreBroadening integer(C_INT)::num - call f_DopplerAndResolutionBroadener_setupBroadnener(this%instance_ptr, moreBroadening,num) + call f_DopplerAndResolutionBroadener_setupBroadener(this%instance_ptr, moreBroadening,num) end subroutine function DopplerAndResolutionBroadener_getNumParams(this) result(result2Return) implicit none diff --git a/sammy/src/cro/mcro5.f90 b/sammy/src/cro/mcro5.f90 index ffeeb1852f572caaf4561bb0532f184c2c0f9029..57e4186c6b65086fd5267375560e459aa0740e53 100644 --- a/sammy/src/cro/mcro5.f90 +++ b/sammy/src/cro/mcro5.f90 @@ -6,7 +6,7 @@ contains use SumIsoAndConvertToTrans_M use array_sizes_common_m, only : calcData, calcDataSelf use normalize_and_background, only : Nnneta - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo use exploc_common_m, only : I_Iflmsc use ifwrit_m, only : Kcros use fixedi_m, only : numUsedPar @@ -20,7 +20,7 @@ contains call summer%initialize(broadener, calcDataSelf, Kcros.eq.8) summer%Need_Isotopes=needIso summer%Another_Process_Will_Happen=moreBroadening - if (.not.moreBroadening.and.Kcros.EQ.6.and.dopplerOption%bType.EQ.0) then + if (.not.moreBroadening.and.Kcros.EQ.6.and.dopplerInfo%bType.EQ.0) then CALL Nnneta (I_Iflmsc, calcData) end if call summer%sumAndConvert(numUsedPar) @@ -84,7 +84,7 @@ end module sumAndConvertAfterBroadening_m use cbro_common_m use lbro_common_m use EndfData_common_m, only : covData, radFitFlags - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT none integer::icr, Ntotal logical::haveDerivs, doAngle @@ -179,7 +179,7 @@ end module sumAndConvertAfterBroadening_m ! Samint_0 right after Leal Hwang broadening ! Samint_0 will reset to 0, for normal ! intermediate printout - Jjjdop = dopplerOption%bType + Jjjdop = dopplerInfo%bType ! Jwwwww sets the title for intermediate or final output Jwwwww = 1 @@ -243,22 +243,22 @@ end module sumAndConvertAfterBroadening_m ! switch handler data grid call Set_Kws - dopplerOption%broadener%debugOutput = .false. - if (Kdebug.ne.0) dopplerOption%broadener%debugOutput = .true. + dopplerInfo%broadener%debugOutput = .false. + if (Kdebug.ne.0) dopplerInfo%broadener%debugOutput = .true. - call dopplerOption%broadener%setupBroadnener(moreBroadening, numUsedPar) + call dopplerInfo%broadener%setupBroadener(moreBroadening, numUsedPar) if (Kcros.EQ.8) THEN - call dopplerOption%broadener%addSelfData(Ksindi.le.0.and.Ksitmp.GT.0, Lllmax+1) + call dopplerInfo%broadener%addSelfData(Ksindi.le.0.and.Ksitmp.GT.0, Lllmax+1) END IF - call dopplerOption%setDopple() - dopplerOption%broadener%Sitemp = Sitemp + call dopplerInfo%setDopple() + dopplerInfo%broadener%Sitemp = Sitemp CALL Initix - call dopplerOption%broadener%broaden() + call dopplerInfo%broadener%broaden() CALL Write_Commons_Many - IF (dopplerOption%bType.EQ.1) Jjjdop = 1 + IF (dopplerInfo%bType.EQ.1) Jjjdop = 1 - call sumAndConvertAfterBroadening(moreBroadening, Yssmsc, dopplerOption%broadener) + call sumAndConvertAfterBroadening(moreBroadening, Yssmsc, dopplerInfo%broadener) Jwwwww = 2 IF (Kcros.EQ.8) Jwwwww = 6 @@ -398,7 +398,7 @@ end module sumAndConvertAfterBroadening_m ! switch handler data grid call Set_Kws - call resolutionOption%resBroad1%setupBroadnener(moreBroadening, numUsedPar) + call resolutionOption%resBroad1%setupBroadener(moreBroadening, numUsedPar) if (Nudwhi.ne.0) then call samudr_0 @@ -420,7 +420,7 @@ end module sumAndConvertAfterBroadening_m ! switch handler data grid call Set_Kws - call resolutionOption%resBroad1%setupBroadnener(moreBroadening, numUsedPar) + call resolutionOption%resBroad1%setupBroadener(moreBroadening, numUsedPar) if (Kkkdex.ne.0) then call samdex_0 @@ -433,8 +433,8 @@ end module sumAndConvertAfterBroadening_m ! after first resolution function this is the ! normal grid, so signal that to the ! second resolution function - btypeSave = dopplerOption%bType - dopplerOption%bType = 2 + btypeSave = dopplerInfo%bType + dopplerInfo%bType = 2 Jwwwww = 4 @@ -446,7 +446,7 @@ end module sumAndConvertAfterBroadening_m ! switch handler data grid call Set_Kws - call resolutionOption%resBroad2%setupBroadnener(moreBroadening, numUsedPar) + call resolutionOption%resBroad2%setupBroadener(moreBroadening, numUsedPar) if (Nudwhi.ne.0) then @@ -460,7 +460,7 @@ end module sumAndConvertAfterBroadening_m end if ! ensure that doppler broadening is reset to the user desired type - dopplerOption%bType = btypeSave + dopplerInfo%bType = btypeSave Jwwwww = 4 diff --git a/sammy/src/dat/mdat0.f90 b/sammy/src/dat/mdat0.f90 index d4e959f774131e9741e98cb1b0afd491eea2a2a4..58b020b9ab6ae31abf47ca7f6dfc7518029cf959 100644 --- a/sammy/src/dat/mdat0.f90 +++ b/sammy/src/dat/mdat0.f90 @@ -23,7 +23,7 @@ contains use mdat7_M use xxx4 use rst_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT none real(kind=8),allocatable,dimension(:)::A_Iedrpi, A_Ixxrpi real(kind=8),allocatable,dimension(:)::A_J1, A_J2 @@ -332,7 +332,7 @@ contains ! *** (Kdatbm is the maximum Ndatb could ever be) ! ! - IF (dopplerOption%bType.NE.1) THEN + IF (dopplerInfo%bType.NE.1) THEN ! IF (Numorr.NE.0) Kendbd = 2 ! *** IF (use OR Resolution function) THEN (use grid evenly spaced @@ -374,7 +374,7 @@ contains ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - > ! ! - ELSE IF (dopplerOption%bType.EQ.1) THEN + ELSE IF (dopplerInfo%bType.EQ.1) THEN ! ! *** Here for Leal-Hwang version of Doppler broadening and ! *** choice of auxiliary grid @@ -523,7 +523,7 @@ contains use fixedi_m, only : Krefit, Nres, Ntotc, Numdtp use ifwrit_m, only : Iptdop, Iptwid, Kartgd, Kdatv, Ktzero, Ndat, Ndatb use fixedr_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT none integer::Ndatt, Ndatbm, Nnndat, Nr, Np, numPerEner integer::I,II, K, K1, K1x, K2, K3, K4, K5, K6 @@ -557,7 +557,7 @@ contains ! I = Idimen (1, 1, '1, 1') II = I + K1 + K2 - IF (dopplerOption%bType.NE.1) THEN + IF (dopplerInfo%bType.NE.1) THEN ! --- from ### five ### N = Nres IF (Nres.EQ.0) N = 1 diff --git a/sammy/src/dat/mdat1.f90 b/sammy/src/dat/mdat1.f90 index 992daba1e1e47a831d7f3200a04cd4ae09a1dc3e..b72f1e5a4427cc2204095582ea610eaf058cfbc5 100644 --- a/sammy/src/dat/mdat1.f90 +++ b/sammy/src/dat/mdat1.f90 @@ -31,7 +31,7 @@ contains use rpi2_m use rpi3_m use orr3_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) ! DIMENSION Bcf(*), Cf2(*), Dopwid(*), & @@ -184,7 +184,7 @@ contains Emaxd = Emaxs IF (Dopple.GT.Zero) THEN Ydoppr = .TRUE. - IF (dopplerOption%bType.EQ.0 .OR. dopplerOption%bType.EQ.1) THEN + IF (dopplerInfo%bType.EQ.0 .OR. dopplerInfo%bType.EQ.1) THEN ! *** Here for high-Energy Gaussian approximation to Doppler brdng ! *** Or for Leal-Hwang Doppler broadening IF (Nolowb.EQ.0) Emind = Emind - Two*Brdlim*Dopple*dSQRT(Emind) @@ -192,12 +192,12 @@ contains IF (Maxwel.EQ.1) THEN Emind = Emins/10.0d0 ELSE - IF (dopplerOption%bType.NE.1) STOP '[STOP in Limits in mdat1.f]' + IF (dopplerInfo%bType.NE.1) STOP '[STOP in Limits in mdat1.f]' END IF ELSE END IF Emaxd = Emaxd + Two*Brdlim*Dopple*dSQRT(Emaxd) - ELSE IF (dopplerOption%bType.EQ.2 .OR. dopplerOption%bType.EQ.3) THEN + ELSE IF (dopplerInfo%bType.EQ.2 .OR. dopplerInfo%bType.EQ.3) THEN ! *** here for free gas Model of Doppler broadening ! *** Also (but may change this) for crystal-lattice Doppler brdng IF (Emins.LE.Zero) THEN @@ -205,7 +205,7 @@ contains ELSE V = dSQRT(Emins) END IF - IF (dopplerOption%bType.EQ.2) THEN + IF (dopplerInfo%bType.EQ.2) THEN V = V - Brdlim*1.001d0*Dopple ELSE ! temporary, eventually do this more logically @@ -219,7 +219,7 @@ contains END IF END IF V = dSQRT(Emaxd) - IF (dopplerOption%bType.EQ.2) THEN + IF (dopplerInfo%bType.EQ.2) THEN V = V + Brdlim*1.001d0*Dopple ELSE ! *** temporary, eventually do this more logically ? @@ -249,7 +249,7 @@ contains use broad_common_m use lbro_common_m use Wdsint_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) ! DIMENSION Bcf(*), Cf2(*), Dopwid(*) @@ -293,7 +293,7 @@ contains DO Iso=1,Numiso A = Dopwid(Iso)*dSQRT(Emin) B = Dopwid(Iso)*dSQRT(Emax) - IF (dopplerOption%bType.EQ.2) THEN + IF (dopplerInfo%bType.EQ.2) THEN A = Two*A B = Two*B END IF @@ -437,7 +437,7 @@ contains use fixedr_m use mdat9_m use GridData_M - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo use AuxGridHelper_M, only : setAuxGridRowMax IMPLICIT DOUBLE PRECISION (a-h,o-z) real(kind=8),allocatable,dimension(:)::E(:), Energy(:) @@ -519,7 +519,7 @@ contains Ndatr = Ndatry - Ndatrx + 1 Ndatx = Ndatxy - Ndatxx + 1 IF (Ndatx+1.LT.Ndat .AND. Kartgd.NE.1 .AND. Maxwel.NE.1) THEN - IF (dopplerOption%bType.NE.1) THEN + IF (dopplerInfo%bType.NE.1) THEN WRITE (6,20000) Ndatx, Ndat 20000 FORMAT (' Possible problem in FIX -- Ndatx < Ndat', 2I6) END IF diff --git a/sammy/src/dat/mdat4.f90 b/sammy/src/dat/mdat4.f90 index d14f6b2e0d32d02ec4f322517683ec2fe7ed16a3..5e8795f8c71251ed0587f4b49d045b33b3b17aa3 100644 --- a/sammy/src/dat/mdat4.f90 +++ b/sammy/src/dat/mdat4.f90 @@ -20,7 +20,7 @@ contains use EndfData_common_m use SammyGridAccess_M use mthe0_M - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) ! type(SammyGridAccess)::grid @@ -53,7 +53,7 @@ contains N5 = 5 IF (Ndatb.LT.N5) N5 = Ndatb ! - IF (dopplerOption%bType.NE.2) THEN + IF (dopplerInfo%bType.NE.2) THEN D = (Ee(N5)-Ee(1))/Dfloat(N5-1) ! = average spacing between first N5 data points X = Ee(1) - Emind @@ -100,7 +100,7 @@ contains N5 = 5 IF (Ndatb.LT.N5) N5 = Ndatb ! - IF (dopplerOption%bType.EQ.2) THEN + IF (dopplerInfo%bType.EQ.2) THEN ! *** Here equally-spaced in velocity (Ie in sqrt(E)) for ! *** free-gas Doppler D = ( DSQRT(Ee(Ndatb))-DSQRT(Ee(Ndatb-N5+1)) )/Dfloat(N5-1) diff --git a/sammy/src/dat/mdat7.f90 b/sammy/src/dat/mdat7.f90 index 2a66261933f0b45c1594d80210bacc9fdb99685e..95fe7ae5540953c9841e2dbf5dadc7dd59588f86 100644 --- a/sammy/src/dat/mdat7.f90 +++ b/sammy/src/dat/mdat7.f90 @@ -31,7 +31,7 @@ module mdat7_M double precision, pointer::Dpdelt => Ff(27) double precision, pointer::Dpdelv => Ff(25) - if (.not.associated(dopplerOption%lealHwang)) return + if (.not.associated(dopplerInfo%lealHwang)) return Emid = (Emin+Emax)*0.5d0 Vvmin = DSQRT(Eminr) @@ -39,7 +39,7 @@ module mdat7_M Xvmin = DSQRT(Emin) Xvmax = DSQRT(Emax) ! - delT = dopplerOption%lealHwang%Delt + delT = dopplerInfo%lealHwang%Delt if (delT.eq.0.0d0) Delt = 5.0d0 ! ! *** a reasonable number ? probably will want to change eventually @@ -49,7 +49,7 @@ module mdat7_M J = AJ IF (J.LE.10) J = 10 Delt = Temp/Dfloat(J) - dopplerOption%lealHwang%Delt = Delt + dopplerInfo%lealHwang%Delt = Delt ! *** adjust delt slightly so that "j" steps gets us exactly to Temp ! Dpdelt = (Delt*Xkb)/(4.0D0*Aaawww) @@ -67,22 +67,22 @@ module mdat7_M /,' xvmin, xvmax =', 23X, 3(1pg14.5)) ! ! - dopplerOption%lealHwang%Kjjjjj = J - dopplerOption%wantBroaden = .true. - dopplerOption%lealHwang%K2pls1 = J + J + 1 + dopplerInfo%lealHwang%Kjjjjj = J + dopplerInfo%wantBroaden = .true. + dopplerInfo%lealHwang%K2pls1 = J + J + 1 ! ! ! *** Coefgn generates coefficients Coef (which we put into Energb ! *** for now) for solving heat equation for performing Doppler ! *** broadening - CALL Coefgn (dopplerOption%lealHwang%coefGrid, dopplerOption%lealHwang%Kjjjjj, Mkkkkk, M2pls1) - call reallocate_real_data(Energb, dopplerOption%lealHwang%coefGrid%getLength()) + CALL Coefgn (dopplerInfo%lealHwang%coefGrid, dopplerInfo%lealHwang%Kjjjjj, Mkkkkk, M2pls1) + call reallocate_real_data(Energb, dopplerInfo%lealHwang%coefGrid%getLength()) ! *** Mkkkkk is the number actually used, since the rest are ! *** effectively zero ! - WRITE (21,10002) Mkkkkk, dopplerOption%lealHwang%Kjjjjj - WRITE ( 6,10002) Mkkkkk, dopplerOption%lealHwang%Kjjjjj + WRITE (21,10002) Mkkkkk, dopplerInfo%lealHwang%Kjjjjj + WRITE ( 6,10002) Mkkkkk, dopplerInfo%lealHwang%Kjjjjj 10002 FORMAT (' New and actual values of J = ', 2I8) ! N = (Vmax-Vvmin)/Dpdelv @@ -112,25 +112,25 @@ module mdat7_M ! IF (Ngtvv.NE.0) THEN DO I=1,Ngtvv - call dopplerOption%lealHwang%coefGrid%addData(I, 1, -(Vvmin + Dpdelv*Dfloat(I)) **2) + call dopplerInfo%lealHwang%coefGrid%addData(I, 1, -(Vvmin + Dpdelv*Dfloat(I)) **2) END DO - call dopplerOption%lealHwang%coefGrid%addData(Ngtvv+1, 1, Zero) + call dopplerInfo%lealHwang%coefGrid%addData(Ngtvv+1, 1, Zero) Ngtvv = Ngtvv + 1 Nnn = Ngtvv + 1 END IF END IF ! DO I=Nnn,Ndatb - call dopplerOption%lealHwang%coefGrid%addData(I, 1, (Vvmin + Dpdelv*Dfloat(I)) **2) + call dopplerInfo%lealHwang%coefGrid%addData(I, 1, (Vvmin + Dpdelv*Dfloat(I)) **2) END DO - call reallocate_real_data(Energb, dopplerOption%lealHwang%coefGrid%getLength()) - do i = 1, dopplerOption%lealHwang%coefGrid%getLength() - Energb(i) = dopplerOption%lealHwang%coefGrid%getData(i,1) + call reallocate_real_data(Energb, dopplerInfo%lealHwang%coefGrid%getLength()) + do i = 1, dopplerInfo%lealHwang%coefGrid%getLength() + Energb(i) = dopplerInfo%lealHwang%coefGrid%getData(i,1) end do ! - Nwd = dopplerOption%lealHwang%K2pls1 + Nwd = dopplerInfo%lealHwang%K2pls1 Awid = Dpdelv*(2.0D0*DSQRT(Emid+Dpdelv)) RETURN ! diff --git a/sammy/src/fin/mfin1.f90 b/sammy/src/fin/mfin1.f90 index 89f16c252b4f99d8ac543c4d97b3fb35a5e09953..f69fd3c93fdbfa5d56002be905fed433dd319496 100644 --- a/sammy/src/fin/mfin1.f90 +++ b/sammy/src/fin/mfin1.f90 @@ -951,9 +951,9 @@ module fin1 Dopwid(1) = Dopple END IF Temp = val - if (associated(dopplerOption%broadener)) then - call dopplerOption%broadener%setTemperature(temp) - dopplerOption%wantBroaden = .true. + if (associated(dopplerInfo%broadener)) then + call dopplerInfo%broadener%setTemperature(temp) + dopplerInfo%wantBroaden = .true. end if ELSE IF (I.EQ.3) THEN Thick = val diff --git a/sammy/src/inp/minp04.F b/sammy/src/inp/minp04.F index 7b2e7e86b3556232c8a88c0823478868d86f2872..f5e6ce80e8ece5a0c384a5d0acf53f8400cf6bd1 100644 --- a/sammy/src/inp/minp04.F +++ b/sammy/src/inp/minp04.F @@ -192,7 +192,7 @@ C use namfil_common_m use lbro_common_m use Observable_common_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) C #ifdef COMPILE_WITH_SAMINT @@ -481,7 +481,7 @@ C *** Leal-Hwang Doppler broadening (-213,214)(1) C *** Gaussian approx for Doppler (-215,216,217,218)(0) C *** Crystal lattice model of Dopp (-219,220)(3) Kkkdop = 2 - dopplerOption%bType = 2 + dopplerInfo%bType = 2 C C *** DO NOT BROADEN THE LOW-ENERGY DATA POINTS (-221) Nolowb = 0 diff --git a/sammy/src/inp/minp05.F b/sammy/src/inp/minp05.F index 477d9a6b978c1c6cf26b9bf118a92c6322d42f9b..8f2f5464d8bfeb0fbbfa0d259b7dd2d482195757 100644 --- a/sammy/src/inp/minp05.F +++ b/sammy/src/inp/minp05.F @@ -16,7 +16,7 @@ C use lbro_common_m use misccc_common_m use Observable_common_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo use mdf5_m IMPLICIT DOUBLE PRECISION (a-h,o-z) C @@ -355,17 +355,17 @@ C ************************************************************ C ELSE IF (Number.EQ.211 .OR. Number.EQ.212) THEN Kkkdop = 2 - dopplerOption%bType = 2 + dopplerInfo%bType = 2 ELSE IF (Number.EQ.213 .OR. Number.EQ.214) THEN Kkkdop = 1 - dopplerOption%bType = 1 + dopplerInfo%bType = 1 ELSE IF (Number.EQ.215 .OR. Number.EQ.216 .OR. Number.EQ.217 * .OR. Number.EQ.218) THEN Kkkdop = 0 - dopplerOption%bType = 0 + dopplerInfo%bType = 0 ELSE IF (Number.EQ.219 .OR. Number.EQ.220) THEN Kkkdop = 3 - dopplerOption%bType = 3 + dopplerInfo%bType = 3 ELSE IF (Number.EQ.221) THEN Nolowb = 1 C diff --git a/sammy/src/inp/minp06.f b/sammy/src/inp/minp06.f index 277f4aede7c05154b71a11cf6a94e5dbd49cd98f..9b2d716627b87ac2886813a2499f2bb23f371aa3 100644 --- a/sammy/src/inp/minp06.f +++ b/sammy/src/inp/minp06.f @@ -192,27 +192,27 @@ C ! make sure we delete the ones we don't need bTypeOld = -1 - if (associated(dopplerOption%highEnergyFreeGas)) then + if (associated(dopplerInfo%highEnergyFreeGas)) then bTypeOld = 0 - else if (associated(dopplerOption%lealHwang)) then + else if (associated(dopplerInfo%lealHwang)) then bTypeOld = 1 - else if (associated(dopplerOption%freeGas)) then + else if (associated(dopplerInfo%freeGas)) then bTypeOld = 2 - else if(associated(dopplerOption%crystalLattice)) then + else if(associated(dopplerInfo%crystalLattice)) then bTypeOld = 3 end if - if (bTypeOld.eq.dopplerOption%bType) return ! all set + if (bTypeOld.eq.dopplerInfo%bType) return ! all set if (bTypeOld.ne.-1) then - call dopplerOption%broadener%destroy() + call dopplerInfo%broadener%destroy() if (bTypeOld.eq.0) then - deallocate(dopplerOption%highEnergyFreeGas) + deallocate(dopplerInfo%highEnergyFreeGas) else if (bTypeOld.eq.1) then - deallocate(dopplerOption%lealHwang) + deallocate(dopplerInfo%lealHwang) else if (bTypeOld.eq.2) then - deallocate(dopplerOption%freeGas) + deallocate(dopplerInfo%freeGas) else if (bTypeOld.eq.3) then - deallocate(dopplerOption%crystalLattice) + deallocate(dopplerInfo%crystalLattice) end if end if @@ -229,35 +229,35 @@ C call workArray%initialize() workArrayInit = .true. end if - IF (dopplerOption%bType.EQ.0) then - allocate(dopplerOption%highEnergyFreeGas) - dopplerOption%broadener => dopplerOption%highEnergyFreeGas - call dopplerOption%broadener%initialize(calcData, + IF (dopplerInfo%bType.EQ.0) then + allocate(dopplerInfo%highEnergyFreeGas) + dopplerInfo%broadener => dopplerInfo%highEnergyFreeGas + call dopplerInfo%broadener%initialize(calcData, * expData, workArray) - dopplerOption%highEnergyFreeGas%dataSelf%instance_ptr = + dopplerInfo%highEnergyFreeGas%dataSelf%instance_ptr = * calcDataSelf%instance_ptr - dopplerOption%highEnergyFreeGas%Brdlim = Brdlim - else IF (dopplerOption%bType.EQ.1) then - allocate(dopplerOption%lealHwang) - dopplerOption%broadener => dopplerOption%lealHwang - call dopplerOption%broadener%initialize(calcData, + dopplerInfo%highEnergyFreeGas%Brdlim = Brdlim + else IF (dopplerInfo%bType.EQ.1) then + allocate(dopplerInfo%lealHwang) + dopplerInfo%broadener => dopplerInfo%lealHwang + call dopplerInfo%broadener%initialize(calcData, * expData, workArray) - dopplerOption%lealHwang%dataSelf%instance_ptr = + dopplerInfo%lealHwang%dataSelf%instance_ptr = * calcDataSelf%instance_ptr - else IF ( dopplerOption%bType.EQ.2) then - allocate(dopplerOption%freeGas) - dopplerOption%broadener => dopplerOption%freeGas - call dopplerOption%broadener%initialize(calcData, + else IF ( dopplerInfo%bType.EQ.2) then + allocate(dopplerInfo%freeGas) + dopplerInfo%broadener => dopplerInfo%freeGas + call dopplerInfo%broadener%initialize(calcData, * expData, workArray) - dopplerOption%freeGas%dataSelf%instance_ptr = + dopplerInfo%freeGas%dataSelf%instance_ptr = * calcDataSelf%instance_ptr - dopplerOption%freeGas%Brdlim = Brdlim - else IF ( dopplerOption%bType.EQ.3) then - allocate(dopplerOption%crystalLattice) - dopplerOption%broadener => dopplerOption%crystalLattice - call dopplerOption%broadener%initialize(calcData, + dopplerInfo%freeGas%Brdlim = Brdlim + else IF ( dopplerInfo%bType.EQ.3) then + allocate(dopplerInfo%crystalLattice) + dopplerInfo%broadener => dopplerInfo%crystalLattice + call dopplerInfo%broadener%initialize(calcData, * expData, workArray) - dopplerOption%crystalLattice%dataSelf%instance_ptr = + dopplerInfo%crystalLattice%dataSelf%instance_ptr = * calcDataSelf%instance_ptr else STOP 'Invalid doppler broadening option in inp/minp6.f' @@ -386,11 +386,11 @@ C Ao2 = Zero Bo2 = Zero Co2 = Zero - dopplerOption%wantBroaden = .false. + dopplerInfo%wantBroaden = .false. C IF (Temp.NE.Zero .AND. Aw.NE.Zero) THEN Dopple = dSQRT(Boltzm*Aneutr*Temp/Aw) - dopplerOption%wantBroaden = .true. + dopplerInfo%wantBroaden = .true. END IF C C @@ -436,7 +436,7 @@ C C *** Check Emin against 5*Doppler width E1 = Eeemin C - IF (dopplerOption%bType.EQ.0) THEN + IF (dopplerInfo%bType.EQ.0) THEN C IF (using HEGA = High-Energy-Gaussian-Approximation to free gas C model) then cannot broaden low energy points Xm = Zero @@ -450,22 +450,22 @@ C *** Brdlim changed from 4.0d0 to 5.0d0 June 1997 * ' Therefore SAMMY will switch to the Free Gas Model.', * /, /, ' Min energy for DBD = ', 1p4e14.6) - if (dopplerOption%bType.ne.2) then + if (dopplerInfo%bType.ne.2) then Kkkdop = 2 - dopplerOption%bType = 2 + dopplerInfo%bType = 2 call setup_broadening end if END IF END IF - if (dopplerOption%bType.eq.0) then - dopplerOption%highEnergyFreeGas%Elowbr = Elowbr - else if( dopplerOption%bType.eq.2) then - dopplerOption%freeGas%Elowbr = Elowbr + if (dopplerInfo%bType.eq.0) then + dopplerInfo%highEnergyFreeGas%Elowbr = Elowbr + else if( dopplerInfo%bType.eq.2) then + dopplerInfo%freeGas%Elowbr = Elowbr end if - call dopplerOption%broadener%setTemperature(temp) - if (associated(dopplerOption%lealHwang) ) then - dopplerOption%lealHwang%delT = Delttt + call dopplerInfo%broadener%setTemperature(temp) + if (associated(dopplerInfo%lealHwang) ) then + dopplerInfo%lealHwang%delT = Delttt end if C C SET STARTING VALUE FOR EST IN SHFTGE ROUTINE @@ -509,7 +509,7 @@ C *** stuff on CARD SET 5 Co2 = Zero Do2 = Zero Dopple = Zero - dopplerOption%wantBroaden = .false. + dopplerInfo%wantBroaden = .false. Nobrd = 1 RETURN END diff --git a/sammy/src/mas/mmas1.f90 b/sammy/src/mas/mmas1.f90 index 085104f39db83f58660e366413a15bfb824e2573..b57a97f6229e330549f4443a8be23e0ea5fcba06 100644 --- a/sammy/src/mas/mmas1.f90 +++ b/sammy/src/mas/mmas1.f90 @@ -556,7 +556,7 @@ contains use misccc_common_m use ntyp_common_m use mdf5_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) CHARACTER*1 Kt, Kc, Ktotal, Ktran DATA Kt /'T'/, Kc /'C'/ @@ -589,7 +589,7 @@ contains Mxwrec = 0 Kaddcr = 0 Kkkdop = 2 - dopplerOption%bType = 2 + dopplerInfo%bType = 2 Kresol = 0 Ntgrlq = 0 Kidcxx = 0 @@ -615,7 +615,7 @@ contains use zzzzz_common_m use misccc_common_m use ntyp_common_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo use mdf5_m IMPLICIT DOUBLE PRECISION (a-h,o-z) ! @@ -789,7 +789,7 @@ contains ! ELSE IF (Number.EQ.219 .OR. Number.EQ.220) THEN Kkkdop = 3 - dopplerOption%bType = 3 + dopplerInfo%bType = 3 ! *** Use CLM for Doppler broadening ! ! diff --git a/sammy/src/mas/mmas4.f b/sammy/src/mas/mmas4.f index 36a0e40ee2c8b6933c0f1eee76b6dda5f025f5cb..6984d66ac07a06ca60f7a07c10b401f4e20d2984 100644 --- a/sammy/src/mas/mmas4.f +++ b/sammy/src/mas/mmas4.f @@ -92,7 +92,7 @@ C use eees_common_m use namfil_common_m use mssccc_common_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT DOUBLE PRECISION (a-h,o-z) C Odfmul = 1.00d0 @@ -263,7 +263,7 @@ C *** # 14 (ENDF/B File 3) 70 CONTINUE END IF C - IF (dopplerOption%bType.EQ.3) THEN + IF (dopplerInfo%bType.EQ.3) THEN C ************************************************************** File 13 WRITE (6,11600) 11600 FORMAT (' What is name of Crystal-Lattice Model file? ') diff --git a/sammy/src/old/mold1.f b/sammy/src/old/mold1.f index 7bc43d40341d261fafbe607e99b7f975dd949d43..0674bd40c4d7c1c8376a7816239f6f1ffba705e3 100644 --- a/sammy/src/old/mold1.f +++ b/sammy/src/old/mold1.f @@ -70,8 +70,8 @@ C & dSQRT(Boltzm*A_Mass_Small*Temp/ & resParData%getMassForIsotope(Iso)) IF (Dopple.LT.Dopwid(Iso)) Dopple = Dopwid(Iso) - if (associated(dopplerOption%broadener)) then - dopplerOption%wantBroaden = .true. + if (associated(dopplerInfo%broadener)) then + dopplerInfo%wantBroaden = .true. end if END DO END IF diff --git a/sammy/src/orr/morr0.f90 b/sammy/src/orr/morr0.f90 index cc7fe6fc3f7fa03fa04a3c37d64c2683768573d1..46184e551863f49dcafce3695276144eda9904ab 100644 --- a/sammy/src/orr/morr0.f90 +++ b/sammy/src/orr/morr0.f90 @@ -42,7 +42,7 @@ module orr_m call work%initialize() call broadener%initialize(calcData, expData, work) moreBroadening = .false. - call broadener%setupBroadnener(moreBroadening, numUsedPar) ! always finish on experinental grid + call broadener%setupBroadener(moreBroadening, numUsedPar) ! always finish on experinental grid ! CALL Initix nauxMax = getNumAuxGridPoints() diff --git a/sammy/src/orr/morr1.f90 b/sammy/src/orr/morr1.f90 index 516a3680b86383e82428c176126cddb4134530b0..65248a400667b9bfdd09acc27201343b2e187717 100644 --- a/sammy/src/orr/morr1.f90 +++ b/sammy/src/orr/morr1.f90 @@ -70,7 +70,7 @@ module orr1_m IF (Ipnts.LE.5) THEN ! ! ********* no integration possible - IF (dopplerOption%bType.ne.1) THEN + IF (dopplerInfo%bType.ne.1) THEN Now = Now + 1 do Ipar = 0, numUsedPar do ns = 1, derivs%getNnnsig() diff --git a/sammy/src/ort/mort.f b/sammy/src/ort/mort.f index ae1f9b4cc25bb6d1b648e9242faaa9dad643799e..95214c7393966c5481173d4b25d4818e3ca2e7e7 100644 --- a/sammy/src/ort/mort.f +++ b/sammy/src/ort/mort.f @@ -142,7 +142,7 @@ C call work%initialize() call broadener%initialize(calcData, expData, work) moreBroadening = .false. - call broadener%setupBroadnener(moreBroadening, numUsedPar) + call broadener%setupBroadener(moreBroadening, numUsedPar) CALL Orresb (broadener, A_Iweigh, A_Iwts, Dist) CALL Showwe (A_It , A_Iwts, Dt, Ipnts) diff --git a/sammy/src/par/mpar0.f90 b/sammy/src/par/mpar0.f90 index f298025619b82cb3de752ed30d334f1cacfd550c..9b3598e0b26b27a6021aa2bb5b8159908d0c470a 100644 --- a/sammy/src/par/mpar0.f90 +++ b/sammy/src/par/mpar0.f90 @@ -43,7 +43,7 @@ module par_m use par16_m use par17_m use par19_m - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT NONE integer,allocatable,dimension(:)::I_tmp real(kind=8),allocatable,dimension(:)::A_Ixtptw, A_Ixtplw, & @@ -280,9 +280,9 @@ module par_m ! !xxxxxxxxxxxxxxxxxxxxxxx Kenbbb = 0 - IF (dopplerOption%bType.NE.2 .AND. dopplerOption%bType.NE.3 .AND. Ksitmp.GT.0) then + IF (dopplerInfo%bType.NE.2 .AND. dopplerInfo%bType.NE.3 .AND. Ksitmp.GT.0) then Kkkdop = 2 - dopplerOption%bType = 2 + dopplerInfo%bType = 2 end if CALL Write_Commons_Few RETURN diff --git a/sammy/src/par/mpar04.f90 b/sammy/src/par/mpar04.f90 index d854cfefe82712bf2d0f730fa40ef165588f5adb..5532bed7e9d3dfc2a85f7d209db7f0fdf818c068 100644 --- a/sammy/src/par/mpar04.f90 +++ b/sammy/src/par/mpar04.f90 @@ -359,8 +359,8 @@ module par4_m Sitemp = A Sithck = C Dopple = dSQRT(Boltzm* Temp*Aneutr/Aaawww) - if (associated(dopplerOption%broadener)) then - dopplerOption%wantBroaden = .true. + if (associated(dopplerInfo%broadener)) then + dopplerInfo%wantBroaden = .true. end if N = N + 2 ! diff --git a/sammy/src/ref/mwrt1.f b/sammy/src/ref/mwrt1.f index 0f8cbb226668e94d80d5bf6eb8c98ee28a9e39e8..8d55753221594499c8ab7d67b11f136db17d8d00 100644 --- a/sammy/src/ref/mwrt1.f +++ b/sammy/src/ref/mwrt1.f @@ -80,14 +80,14 @@ C *** CARD SET 5 Broadening information Delttt = 0.0d0 IF (Ib.EQ.1) then Elowbr = 0 - if (associated(dopplerOption%freeGas)) then - Elowbr = dopplerOption%freeGas%Elowbr + if (associated(dopplerInfo%freeGas)) then + Elowbr = dopplerInfo%freeGas%Elowbr else if ( - * associated(dopplerOption%highEnergyFreeGas)) then - Elowbr = dopplerOption%highEnergyFreeGas%Elowbr + * associated(dopplerInfo%highEnergyFreeGas)) then + Elowbr = dopplerInfo%highEnergyFreeGas%Elowbr else if ( - * associated(dopplerOption%lealHwang)) then - Delttt = dopplerOption%lealHwang%DelT + * associated(dopplerInfo%lealHwang)) then + Delttt = dopplerInfo%lealHwang%DelT end if WRITE (11,10500) Temp, Dist, Deltal, Deltae, Deltag, * Delttt, Elowbr diff --git a/sammy/src/rpi/mrpi1.f90 b/sammy/src/rpi/mrpi1.f90 index 2b0d5c4458cedea1838939fdf160c79798dd988b..541cb85252d5ba7c850138bd9ad60a1c2914db44 100644 --- a/sammy/src/rpi/mrpi1.f90 +++ b/sammy/src/rpi/mrpi1.f90 @@ -84,7 +84,7 @@ module rpi1_m IF (Ipnts.LE.5) THEN ! ! ********* No integration possible - IF (dopplerOption%bType.ne.1) THEN + IF (dopplerInfo%bType.ne.1) THEN Now = Now + 1 do Ipar = 0, numUsedPar do ns = 1, derivs%getNnnsig() diff --git a/sammy/src/rsl/mrsl1.f90 b/sammy/src/rsl/mrsl1.f90 index 3155888fff1ac4511efa42e0b2cf5cc94ac22448..935ed0959deb7396d8480f04e928f63023b17e64 100644 --- a/sammy/src/rsl/mrsl1.f90 +++ b/sammy/src/rsl/mrsl1.f90 @@ -17,7 +17,7 @@ module rsl1_m use fixedi_m, only : K2reso,Numbgf, Numnbk, numUsedPar use ifwrit_m, only : Kdebug, Kjdele, Kjdell, Ksolve, Ndat use fixedr_m - use broad_common_m, only : Bo2, Co2, Dell00, Deltae,Dell00, Dele00, Dele11, Dele22, Dell11, deltal, dopplerOption + use broad_common_m, only : Bo2, Co2, Dell00, Deltae,Dell00, Dele00, Dele11, Dele22, Dell11, deltal, dopplerInfo use brdd_common_m, only : Ipk, Ipnts, Iup, Kc use constn_common_m, only : Sm2 use Wdsint_m, only : Wdsint @@ -112,7 +112,7 @@ module rsl1_m ! IF (Ipnts.LE.5) THEN ! ********* No integration is possible - IF (dopplerOption%bType.ne.1) THEN + IF (dopplerInfo%bType.ne.1) THEN Now = Now + 1 do Ipar = 0, numUsedPar do ns = 1, derivs%getNnnsig() diff --git a/sammy/src/salmon/tests/SammyGridAccessTest.cpp b/sammy/src/salmon/tests/SammyGridAccessTest.cpp index 2a5e412b00da965c9bf40f3e3c5c85e93981ec16..02bb2847714a5c0b32bec2c20756b4d0deedf103 100644 --- a/sammy/src/salmon/tests/SammyGridAccessTest.cpp +++ b/sammy/src/salmon/tests/SammyGridAccessTest.cpp @@ -74,7 +74,6 @@ void addTestData(sammy::GridDataList & list, int numcro = 1, int ktzero = 0, boo void testFirstGrid(sammy::SammyGridAccess & access, sammy::GridDataList & list, int ktzero){ ASSERT_EQ(10, access.getNumEnergies(list)); - return; for (int i = 0; i < 10; i++){ double e = i + 1; if (ktzero == 0){ @@ -89,8 +88,7 @@ void testFirstGrid(sammy::SammyGridAccess & access, sammy::GridDataList & list, } void testSecondGrid(sammy::SammyGridAccess & access, sammy::GridDataList & list, int ktzero){ - ASSERT_EQ(20, access.getNumEnergies(list)); - return; + ASSERT_EQ(20, access.getNumEnergies(list)); for (int i = 0; i < 20; i++){ double e = i + 10; ASSERT_NEAR(e, access.getEnergy(i, list), 1e-3); diff --git a/sammy/src/the/mthe1.f90 b/sammy/src/the/mthe1.f90 index 8b0ee838a519295801ca0ea1db6aa649fbb5e0a0..5977807a144cadcec02018527a3b8fc897795f2f 100644 --- a/sammy/src/the/mthe1.f90 +++ b/sammy/src/the/mthe1.f90 @@ -480,7 +480,7 @@ module mthe1_m Jtrans use ifwrit_m, only : Kaverg, Kdebug, Kfinit, Kkkclq, Kcros, & Krmatx, Ksolve, Kssmsc, Ktrans, MIKE, Nfissl - use broad_common_m, only : dopplerOption + use broad_common_m, only : dopplerInfo IMPLICIT None integer::Nnnsig, Nnniso real(kind=8)::zero @@ -527,7 +527,7 @@ module mthe1_m END IF ! IF (Nnnsig.EQ.1 .AND. (Kssmsc.EQ.-1 .OR. Kssmsc.EQ.0) .AND. & - Kaverg.NE.2 .AND. .not.dopplerOption%wantBroaden) THEN + Kaverg.NE.2 .AND. .not.dopplerInfo%wantBroaden) THEN ! *** If we can add up isotopes in XCT rather than waiting for ANG or ! *** FGM or SSM... ! *** ie for anything other than self-shielding, multiple-scattering, @@ -549,7 +549,7 @@ module mthe1_m IF (Kssmsc.EQ.-2) THEN ! *** for self-shielding but not multiple-scattering (if no Doppler) Nnnsig = 2 - IF (.not.dopplerOption%wantBroaden) Nnniso = 1 + IF (.not.dopplerInfo%wantBroaden) Nnniso = 1 END IF IF (Kaverg.EQ.2) THEN ! *** for Bondarenko group averages @@ -592,7 +592,7 @@ module mthe1_m Numrpi use ifwrit_m, only : Kaverg, Kdebug, Kssmsc, Ntgrlq use fixedr_m, only : Dddeee - use broad_common_m, only : Ao2, Bo2, Co2, Ncf, dopplerOption + use broad_common_m, only : Ao2, Bo2, Co2, Ncf, dopplerInfo use lbro_common_m, only : Debug, Yaverg, Ydoppr, Ynrmbk, & Yresol, Yselfi, Yssmsc, Ytotrs, Ytrans @@ -617,7 +617,7 @@ module mthe1_m Yaverg = False ! ! *** IF (WANT DOPPLER BROADENING) ydoppr = True - IF (dopplerOption%wantBroaden) Ydoppr = True + IF (dopplerInfo%wantBroaden) Ydoppr = True ! ! *** if (this is transmission) ytrans = True IF (Jcros.EQ.1 .AND. Jtrans.EQ.1) Ytrans = True diff --git a/sammy/src/udr/mudr1.f b/sammy/src/udr/mudr1.f index ef4dcd2d3b1fdc4b7dd7d501fa2d5108a0705ee3..68d3e784d55a1202180b9377de39a3f4ccfec52c 100644 --- a/sammy/src/udr/mudr1.f +++ b/sammy/src/udr/mudr1.f @@ -80,7 +80,7 @@ C cx call timer_debug('d',0) C C ********* no integration possible - IF (dopplerOption%bType.ne.1) THEN + IF (dopplerInfo%bType.ne.1) THEN Now = Now + 1 do Ipar = 0, numUsedPar do ns = 1, calcData%getNnnsig()