cleaning up, removing unused variables and variable initialisation

code/damage_anisoBrittle.f90

@@ -112,7 +112,7 @@ subroutine damage_anisoBrittle_init(fileUnit)
  integer(pInt) :: maxNinstance,mySize=0_pInt,phase,instance,o
  integer(pInt) :: sizeState, sizeDotState
  integer(pInt) :: NofMyPhase   
- integer(pInt) :: Nchunks_CleavageFamilies, j   
+ integer(pInt) :: Nchunks_CleavageFamilies = 0_pInt, j   
  character(len=65536) :: &
    tag  = '', &
    line = ''
@@ -338,7 +338,6 @@ subroutine damage_anisoBrittle_microstructure(Tstar_v, subdt, ipc, ip, el)
    damageState
  use lattice, only: &
    lattice_DamageMobility, &
-   lattice_Scleavage, &
    lattice_Scleavage_v, &
    lattice_maxNcleavageFamily, &
    lattice_NcleavageSystem
@@ -400,10 +399,11 @@ end subroutine damage_anisoBrittle_microstructure
 !> @brief  contains the constitutive equation for calculating the velocity gradient  
 !--------------------------------------------------------------------------------------------------
 subroutine damage_anisoBrittle_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc, ip, el)
+ use prec, only: &
+   tol_math_check
  use material, only: &
    mappingConstitutive, &
-   phase_damageInstance, &
+   phase_damageInstance
-   damageState
  use math, only: &
    math_Plain3333to99
  use lattice, only: &
@@ -450,7 +450,7 @@ subroutine damage_anisoBrittle_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        sign(1.0_pReal,traction_d)* &
        damage_anisoBrittle_sdot_0(instance)* &
        (max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**damage_anisoBrittle_N(instance)
-     if (udotd /= 0.0_pReal) then
+     if (abs(udotd) > tol_math_check) then
        Ld = Ld + udotd*lattice_Scleavage(1:3,1:3,1,index_myFamily+i,phase)
        dudotd_dt = sign(1.0_pReal,traction_d)*udotd*damage_anisoBrittle_N(instance)/ &
                    max(0.0_pReal, abs(traction_d) - traction_crit)
@@ -464,7 +464,7 @@ subroutine damage_anisoBrittle_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        sign(1.0_pReal,traction_t)* &
        damage_anisoBrittle_sdot_0(instance)* &
        (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**damage_anisoBrittle_N(instance)
-     if (udott /= 0.0_pReal) then
+     if (abs(udott) > tol_math_check) then
        Ld = Ld + udott*lattice_Scleavage(1:3,1:3,2,index_myFamily+i,phase)
        dudott_dt = sign(1.0_pReal,traction_t)*udott*damage_anisoBrittle_N(instance)/ &
                    max(0.0_pReal, abs(traction_t) - traction_crit)  
@@ -478,7 +478,7 @@ subroutine damage_anisoBrittle_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        sign(1.0_pReal,traction_n)* &
        damage_anisoBrittle_sdot_0(instance)* &
        (max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**damage_anisoBrittle_N(instance)
-     if (udotn /= 0.0_pReal) then
+     if (abs(udotn) > tol_math_check) then
        Ld = Ld + udotn*lattice_Scleavage(1:3,1:3,3,index_myFamily+i,phase)
        dudotn_dt = sign(1.0_pReal,traction_n)*udotn*damage_anisoBrittle_N(instance)/ &
                    max(0.0_pReal, abs(traction_n) - traction_crit)
@@ -496,7 +496,7 @@ end subroutine damage_anisoBrittle_LdAndItsTangent
 !--------------------------------------------------------------------------------------------------
 !> @brief returns damage
 !--------------------------------------------------------------------------------------------------
-function damage_anisoBrittle_getDamage(ipc, ip, el)
+pure function damage_anisoBrittle_getDamage(ipc, ip, el)
  use material, only: &
    material_homog, &
    mappingHomogenization, &
@@ -515,7 +515,7 @@ function damage_anisoBrittle_getDamage(ipc, ip, el)
  real(pReal) :: damage_anisoBrittle_getDamage
  
  select case(field_damage_type(material_homog(ip,el)))                                                   
-   case (FIELD_DAMAGE_LOCAL_ID)
+   case default
     damage_anisoBrittle_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
       state(1,mappingConstitutive(1,ipc,ip,el))
     
@@ -551,7 +551,7 @@ end subroutine damage_anisoBrittle_putLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local damage
 !--------------------------------------------------------------------------------------------------
-function damage_anisoBrittle_getLocalDamage(ipc, ip, el)
+pure function damage_anisoBrittle_getLocalDamage(ipc, ip, el)
  use material, only: &
    mappingConstitutive, &
    damageState
@@ -572,12 +572,11 @@ end function damage_anisoBrittle_getLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns brittle damage diffusion tensor 
 !--------------------------------------------------------------------------------------------------
-function damage_anisoBrittle_getDamageDiffusion33(ipc, ip, el)
+pure function damage_anisoBrittle_getDamageDiffusion33(ipc, ip, el)
  use lattice, only: &
    lattice_DamageDiffusion33
  use material, only: &
-   mappingConstitutive, &
+   mappingConstitutive
-   damageState
 
  implicit none
  integer(pInt), intent(in) :: &
@@ -602,8 +601,7 @@ end function damage_anisoBrittle_getDamageDiffusion33
 function damage_anisoBrittle_postResults(ipc,ip,el)
  use material, only: &
    mappingConstitutive, &
-   phase_damageInstance, &
+   phase_damageInstance
-   damageState
 
  implicit none
  integer(pInt),              intent(in) :: &

code/damage_anisoDuctile.f90

@@ -114,7 +114,7 @@ subroutine damage_anisoDuctile_init(fileUnit)
  integer(pInt) :: maxNinstance,mySize=0_pInt,phase,instance,o
  integer(pInt) :: sizeState, sizeDotState
  integer(pInt) :: NofMyPhase   
- integer(pInt) :: Nchunks_SlipFamilies, j   
+ integer(pInt) :: Nchunks_SlipFamilies = 0_pInt, j   
  character(len=65536) :: &
    tag  = '', &
    line = ''
@@ -379,6 +379,8 @@ end subroutine damage_anisoDuctile_microstructure
 !> @brief  contains the constitutive equation for calculating the velocity gradient  
 !--------------------------------------------------------------------------------------------------
 subroutine damage_anisoDuctile_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc, ip, el)
+ use prec, only: &
+   tol_math_check
  use lattice, only: &
    lattice_maxNslipFamily, &
    lattice_NslipSystem, &
@@ -387,8 +389,7 @@ subroutine damage_anisoDuctile_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
    lattice_sn
  use material, only: &
    mappingConstitutive, &
-   phase_damageInstance, &
+   phase_damageInstance
-   damageState
  use math, only: &
    math_Plain3333to99, &
    math_I3, &
@@ -455,7 +456,7 @@ subroutine damage_anisoDuctile_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        damage_anisoDuctile_sdot_0(instance)* &
        (abs(traction_d)/traction_crit - &
         abs(traction_d)/damage_anisoDuctile_critLoad(f,instance))**damage_anisoDuctile_N(instance)
-     if (udotd /= 0.0_pReal) then
+     if (abs(udotd) > tol_math_check) then
        Ld = Ld + udotd*projection_d
        dudotd_dt = udotd*damage_anisoDuctile_N(instance)/traction_d
        forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@@ -468,7 +469,7 @@ subroutine damage_anisoDuctile_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        damage_anisoDuctile_sdot_0(instance)* &
        (abs(traction_t)/traction_crit - &
         abs(traction_t)/damage_anisoDuctile_critLoad(f,instance))**damage_anisoDuctile_N(instance)
-     if (udott /= 0.0_pReal) then
+     if (abs(udott) > tol_math_check) then
        Ld = Ld + udott*projection_t
        dudott_dt = udott*damage_anisoDuctile_N(instance)/traction_t
        forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@@ -479,7 +480,7 @@ subroutine damage_anisoDuctile_LdAndItsTangent(Ld, dLd_dTstar3333, Tstar_v, ipc,
        damage_anisoDuctile_sdot_0(instance)* &
        (max(0.0_pReal,traction_n)/traction_crit - &
         max(0.0_pReal,traction_n)/damage_anisoDuctile_critLoad(f,instance))**damage_anisoDuctile_N(instance)
-     if (udotn /= 0.0_pReal) then
+     if (abs(udotn) > tol_math_check) then
        Ld = Ld + udotn*projection_n
        dudotn_dt = udotn*damage_anisoDuctile_N(instance)/traction_n
        forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@@ -494,7 +495,7 @@ end subroutine damage_anisoDuctile_LdAndItsTangent
 !--------------------------------------------------------------------------------------------------
 !> @brief returns damage
 !--------------------------------------------------------------------------------------------------
-function damage_anisoDuctile_getDamage(ipc, ip, el)
+pure function damage_anisoDuctile_getDamage(ipc, ip, el)
  use material, only: &
    material_homog, &
    mappingHomogenization, &
@@ -513,7 +514,7 @@ function damage_anisoDuctile_getDamage(ipc, ip, el)
  real(pReal) :: damage_anisoDuctile_getDamage
  
  select case(field_damage_type(material_homog(ip,el)))                                                   
-   case (FIELD_DAMAGE_LOCAL_ID)
+   case default
     damage_anisoDuctile_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
       state(1,mappingConstitutive(1,ipc,ip,el))
     
@@ -549,7 +550,7 @@ end subroutine damage_anisoDuctile_putLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local damage
 !--------------------------------------------------------------------------------------------------
-function damage_anisoDuctile_getLocalDamage(ipc, ip, el)
+pure function damage_anisoDuctile_getLocalDamage(ipc, ip, el)
  use material, only: &
    mappingConstitutive, &
    damageState

code/damage_isoBrittle.f90

@@ -319,7 +319,7 @@ end subroutine damage_isoBrittle_microstructure
 !--------------------------------------------------------------------------------------------------
 !> @brief returns damage
 !--------------------------------------------------------------------------------------------------
-function damage_isoBrittle_getDamage(ipc, ip, el)
+pure function damage_isoBrittle_getDamage(ipc, ip, el)
  use material, only: &
    material_homog, &
    mappingHomogenization, &
@@ -327,7 +327,6 @@ function damage_isoBrittle_getDamage(ipc, ip, el)
    damageState, &
    fieldDamage, &
    field_damage_type, &
-   FIELD_DAMAGE_LOCAL_ID, &
    FIELD_DAMAGE_NONLOCAL_ID
 
  implicit none
@@ -338,14 +337,14 @@ function damage_isoBrittle_getDamage(ipc, ip, el)
  real(pReal) :: damage_isoBrittle_getDamage
  
  select case(field_damage_type(material_homog(ip,el)))                                                   
-   case (FIELD_DAMAGE_LOCAL_ID)
-    damage_isoBrittle_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
-      state0(1,mappingConstitutive(1,ipc,ip,el))
-    
    case (FIELD_DAMAGE_NONLOCAL_ID)
     damage_isoBrittle_getDamage = fieldDamage(material_homog(ip,el))% &
       field(1,mappingHomogenization(1,ip,el))                                                     ! Taylor type 
 
+   case default
+    damage_isoBrittle_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
+      state0(1,mappingConstitutive(1,ipc,ip,el))
+    
  end select
 
 end function damage_isoBrittle_getDamage
@@ -373,7 +372,7 @@ end subroutine damage_isoBrittle_putLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local damage
 !--------------------------------------------------------------------------------------------------
-function damage_isoBrittle_getLocalDamage(ipc, ip, el)
+pure function damage_isoBrittle_getLocalDamage(ipc, ip, el)
  use material, only: &
    mappingConstitutive, &
    damageState
@@ -393,7 +392,7 @@ end function damage_isoBrittle_getLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns brittle damage diffusion tensor 
 !--------------------------------------------------------------------------------------------------
-function damage_isoBrittle_getDamageDiffusion33(ipc, ip, el)
+pure function damage_isoBrittle_getDamageDiffusion33(ipc, ip, el)
  use lattice, only: &
    lattice_DamageDiffusion33
  use material, only: &
@@ -419,7 +418,7 @@ end function damage_isoBrittle_getDamageDiffusion33
 !--------------------------------------------------------------------------------------------------
 !> @brief returns brittle damaged stiffness tensor 
 !--------------------------------------------------------------------------------------------------
-function damage_isoBrittle_getDamagedC66(C, ipc, ip, el)
+pure function damage_isoBrittle_getDamagedC66(C, ipc, ip, el)
  use material, only: &
    mappingConstitutive
 

code/damage_isoDuctile.f90

@@ -318,7 +318,7 @@ end subroutine damage_isoDuctile_microstructure
 !--------------------------------------------------------------------------------------------------
 !> @brief returns damage 
 !--------------------------------------------------------------------------------------------------
-function damage_isoDuctile_getDamage(ipc, ip, el)
+pure function damage_isoDuctile_getDamage(ipc, ip, el)
  use material, only: &
    material_homog, &
    mappingHomogenization, &
@@ -337,7 +337,7 @@ function damage_isoDuctile_getDamage(ipc, ip, el)
  real(pReal) :: damage_isoDuctile_getDamage
  
  select case(field_damage_type(material_homog(ip,el)))                                                   
-   case (FIELD_DAMAGE_LOCAL_ID)
+   case default
     damage_isoDuctile_getDamage = damageState(mappingConstitutive(2,ipc,ip,el))% &
       state0(1,mappingConstitutive(1,ipc,ip,el))
     
@@ -372,7 +372,7 @@ end subroutine damage_isoDuctile_putLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local damage
 !--------------------------------------------------------------------------------------------------
-function damage_isoDuctile_getLocalDamage(ipc, ip, el)
+pure function damage_isoDuctile_getLocalDamage(ipc, ip, el)
  use material, only: &
    mappingConstitutive, &
    damageState
@@ -391,7 +391,7 @@ end function damage_isoDuctile_getLocalDamage
 !--------------------------------------------------------------------------------------------------
 !> @brief returns ductile damaged stiffness tensor 
 !--------------------------------------------------------------------------------------------------
-function damage_isoDuctile_getDamagedC66(C, ipc, ip, el)
+pure function damage_isoDuctile_getDamagedC66(C, ipc, ip, el)
  use material, only: &
    mappingConstitutive
 

code/plastic_disloKMC.f90

@@ -197,8 +197,9 @@ subroutine plastic_disloKMC_init(fileUnit)
  integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
  integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,&
                   f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, &
-                  Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
+                  Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, &
-                  Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_nonSchmid, &
+                  Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, &
+                  Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_nonSchmid = 0_pInt, &
                   offset_slip, index_myFamily, index_otherFamily
  integer(pInt) :: sizeState, sizeDotState
  integer(pInt) :: NofMyPhase

code/plastic_disloUCLA.f90

@@ -202,8 +202,9 @@ subroutine plastic_disloUCLA_init(fileUnit)
  integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
  integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,&
                   f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, &
-                  Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
+                  Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, &
-                  Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_nonSchmid, &
+                  Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, &
+                  Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_nonSchmid = 0_pInt, &
                   offset_slip, index_myFamily, index_otherFamily
  integer(pInt) :: sizeState, sizeDotState
  integer(pInt) :: NofMyPhase

code/plastic_dislotwin.f90

@@ -229,8 +229,9 @@ subroutine plastic_dislotwin_init(fileUnit)
  integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
  integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,maxTotalNtrans,&
                   f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt,nr, &
-                  Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
+                  Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, &
-                  Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_TransFamilies, &
+                  Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, &
+                  Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, &
                   offset_slip, index_myFamily, index_otherFamily
  integer(pInt) :: sizeState, sizeDotState
  integer(pInt) :: NofMyPhase   

code/plastic_phenopowerlaw.f90

@@ -153,8 +153,10 @@ subroutine plastic_phenopowerlaw_init(fileUnit)
  integer(pInt) :: &
    maxNinstance, &
    instance,phase,j,k, f,o, &
-   Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
+   Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, &
-   Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_TransFamilies, Nchunks_nonSchmid, &
+   Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, &
+   Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, &
+   Nchunks_TransFamilies = 0_pInt, Nchunks_nonSchmid = 0_pInt, &
    NipcMyPhase, &
    offset_slip, index_myFamily, index_otherFamily, &
    mySize=0_pInt,sizeState,sizeDotState

code/plastic_titanmod.f90

@@ -233,12 +233,12 @@ subroutine plastic_titanmod_init(fileUnit)
    s, s1, s2, &
    t, t1, t2, &
    ns, nt, &
-   Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
+   Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, &
-   Nchunks_SlipFamilies, Nchunks_TwinFamilies, &
+   Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, &
    offset_slip, mySize, &
    maxTotalNslip,maxTotalNtwin, maxNinstance
  integer(pInt) :: sizeState, sizeDotState
- integer(pInt) :: NofMyPhase  
+ integer(pInt) :: NofMyPhase = 0_pInt  
  character(len=65536) :: &
    tag  = '', &
    line = ''  

code/thermal_isothermal.f90

@@ -44,7 +44,6 @@ subroutine thermal_isothermal_init(temperature_init)
    numerics_integrator
  use material, only: &
    phase_thermal, &
-   phase_Noutput, &
    LOCAL_THERMAL_ISOTHERMAL_label, &
    LOCAL_THERMAL_ISOTHERMAL_ID, &
    material_phase, &

code/vacancy_constant.f90

@@ -39,7 +39,6 @@ subroutine vacancy_constant_init
    numerics_integrator
  use material, only: &
    phase_vacancy, &
-   phase_Noutput, &
    LOCAL_VACANCY_CONSTANT_label, &
    LOCAL_VACANCY_CONSTANT_ID, &
    material_phase, &