better define variables close to their usage
This commit is contained in:
Martin Diehl
parent
321c3f16a6
commit
ce2cb16921
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@ -823,8 +823,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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msg = 'microstructure count mismatch'
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case (846_pInt)
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msg = 'rotation for load case rotation ill-defined (R:RT != I)'
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case (847_pInt)
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msg = 'update of gamma operator not possible when pre-calculated'
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case (880_pInt)
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msg = 'mismatch of microstructure count and a*b*c in geom file'
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case (891_pInt)
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@ -24,6 +24,13 @@ module grid_mech_spectral_basic
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! derived types
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type(tSolutionParams), private :: params
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type, private :: tNumerics
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logical :: &
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update_gamma !< update gamma operator with current stiffness
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end type tNumerics
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type(tNumerics) :: num ! numerics parameters. Better name?
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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@ -79,6 +86,8 @@ subroutine grid_mech_spectral_basic_init
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IO_open_jobFile_binary
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use FEsolving, only: &
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restartInc
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use config, only :&
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config_numerics
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use numerics, only: &
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worldrank, &
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worldsize, &
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@ -118,6 +127,8 @@ subroutine grid_mech_spectral_basic_init
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write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
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write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
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num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
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!--------------------------------------------------------------------------------------------------
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! set default and user defined options for PETSc
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call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
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@ -209,8 +220,6 @@ end subroutine grid_mech_spectral_basic_init
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!> @brief solution for the basic scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
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use numerics, only: &
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update_gamma
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use spectral_utilities, only: &
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tBoundaryCondition, &
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utilities_maskedCompliance, &
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@ -243,7 +252,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
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if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
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if (num%update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
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!--------------------------------------------------------------------------------------------------
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! set module wide available data
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@ -24,6 +24,13 @@ module grid_mech_spectral_polarisation
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! derived types
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type(tSolutionParams), private :: params
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type, private :: tNumerics
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logical :: &
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update_gamma !< update gamma operator with current stiffness
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end type tNumerics
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type(tNumerics) :: num ! numerics parameters. Better name?
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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@ -85,6 +92,8 @@ subroutine grid_mech_spectral_polarisation_init
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IO_open_jobFile_binary
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use FEsolving, only: &
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restartInc
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use config, only :&
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config_numerics
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use numerics, only: &
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worldrank, &
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worldsize, &
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@ -123,6 +132,8 @@ subroutine grid_mech_spectral_polarisation_init
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write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
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write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
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num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
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!--------------------------------------------------------------------------------------------------
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! set default and user defined options for PETSc
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call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
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@ -226,8 +237,6 @@ end subroutine grid_mech_spectral_polarisation_init
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!> @brief solution for the Polarisation scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
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use numerics, only: &
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update_gamma
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use math, only: &
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math_invSym3333
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use spectral_utilities, only: &
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@ -262,7 +271,7 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
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if (update_gamma) then
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if (num%update_gamma) then
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call utilities_updateGamma(C_minMaxAvg,restartWrite)
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C_scale = C_minMaxAvg
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S_scale = math_invSym3333(C_minMaxAvg)
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@ -94,9 +94,8 @@ module numerics
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&-thermal_snes_type ngmres ', &
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petsc_options = ''
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logical, protected, public :: &
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continueCalculation = .false., & !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
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memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
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update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
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continueCalculation = .false. !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
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#endif
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!--------------------------------------------------------------------------------------------------
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@ -321,8 +320,6 @@ subroutine numerics_init
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err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
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case ('continuecalculation')
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continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
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case ('update_gamma')
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update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
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case ('petsc_options')
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petsc_options = trim(line(chunkPos(4):))
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case ('err_curl_tolabs')
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@ -432,7 +429,6 @@ subroutine numerics_init
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! spectral parameters
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#ifdef Grid
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write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
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write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
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write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs
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write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel
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write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs
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@ -506,8 +502,6 @@ subroutine numerics_init
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if (err_damage_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolabs')
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if (err_damage_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolrel')
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#ifdef Grid
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if (update_gamma .and. &
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.not. memory_efficient) call IO_error(error_ID = 847_pInt)
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if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel')
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if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
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if (err_div_tolRel < 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')
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@ -104,16 +104,16 @@ module spectral_utilities
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real(pReal) :: timeincOld
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end type tSolutionParams
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type, private :: tNumerics !< scales divergence/curl calculation: 0- no correction, 1- size scaled to 1, 2- size scaled to Npoints
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type, private :: tNumerics
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real(pReal) :: &
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FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
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integer :: &
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divergence_correction
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divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
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logical :: &
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memory_efficient
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memory_efficient !< calculate gamma operator on the fly
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character(len=pStringLen) :: &
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spectral_derivative, &
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FFTW_plan_mode, &
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spectral_derivative, & !< approximation used for derivatives in Fourier space
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FFTW_plan_mode, & !< FFTW plan mode, see www.fftw.org
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PETSc_defaultOptions, &
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PETSc_options
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end type tNumerics
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@ -405,13 +405,13 @@ subroutine utilities_init
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end subroutine utilities_init
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!--------------------------------------------------------------------------------------------------
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!---------------------------------------------------------------------------------------------------
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!> @brief updates reference stiffness and potentially precalculated gamma operator
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!> @details Sets the current reference stiffness to the stiffness given as an argument.
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!> If the gamma operator is precalculated, it is calculated with this stiffness.
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!> In case of an on-the-fly calculation, only the reference stiffness is updated.
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!> Also writes out the current reference stiffness for restart.
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!--------------------------------------------------------------------------------------------------
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!---------------------------------------------------------------------------------------------------
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subroutine utilities_updateGamma(C,saveReference)
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use IO, only: &
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IO_open_jobFile_binary
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