From 91582f6d69d6483f0c2e0e60c6561dfd7dbfe396 Mon Sep 17 00:00:00 2001
From: Jean-Luc Fattebert <fattebertj@ornl.gov>
Date: Mon, 4 Mar 2024 10:35:14 -0500
Subject: [PATCH] Fix a bunch of compiler warnings (#59)

---
 drivers/computeKKS3Ph2Sl.cc                   |  1 -
 src/CALPHADFreeEnergyFunctionsBinary3Ph2Sl.cc |  4 ---
 ...PHADFreeEnergyFunctionsBinaryThreePhase.cc |  4 ---
 src/CALPHADSpeciesPhaseGibbsEnergy.cc         |  4 +--
 src/LinearSolver.cc                           | 18 +++++-----
 src/NewtonSolver.cc                           | 36 +++++++++----------
 src/QuadraticFreeEnergyFunctionsBinary.h      | 13 ++++---
 ...raticFreeEnergyFunctionsBinaryThreePhase.h | 17 ++++-----
 ...ticFreeEnergyFunctionsTernaryThreePhase.cc |  5 ++-
 ...aticFreeEnergyFunctionsTernaryThreePhase.h |  7 ++--
 10 files changed, 49 insertions(+), 60 deletions(-)

diff --git a/drivers/computeKKS3Ph2Sl.cc b/drivers/computeKKS3Ph2Sl.cc
index a34338f..67b5542 100644
--- a/drivers/computeKKS3Ph2Sl.cc
+++ b/drivers/computeKKS3Ph2Sl.cc
@@ -29,7 +29,6 @@ int main(int argc, char* argv[])
         = Thermo4PFM::ConcInterpolationType::LINEAR;
 
     std::cout << "Temperature: " << temperature << std::endl;
-    double nominalc[2] = { 0.6, 0.035 };
 
     std::cout << "Read CALPHAD database..." << std::endl;
     pt::ptree calphad_db;
diff --git a/src/CALPHADFreeEnergyFunctionsBinary3Ph2Sl.cc b/src/CALPHADFreeEnergyFunctionsBinary3Ph2Sl.cc
index 1482228..ca9554f 100644
--- a/src/CALPHADFreeEnergyFunctionsBinary3Ph2Sl.cc
+++ b/src/CALPHADFreeEnergyFunctionsBinary3Ph2Sl.cc
@@ -551,10 +551,6 @@ double CALPHADFreeEnergyFunctionsBinary3Ph2Sl::fchem(
     double fa        = 0.;
     double fb        = 0.;
 
-    bool pure_phase_0 = phi[0] > tol;
-    bool pure_phase_1 = phi[1] > tol;
-    bool pure_phase_2 = phi[2] > tol;
-
     if ((1.0 - phi[0] > tol) && (1.0 - phi[1] > tol) && (1.0 - phi[2] > tol))
     {
         computePhasesFreeEnergies(temperature, hcphi, conc[0], fl, fa, fb);
diff --git a/src/CALPHADFreeEnergyFunctionsBinaryThreePhase.cc b/src/CALPHADFreeEnergyFunctionsBinaryThreePhase.cc
index 3cc9590..c4e7c65 100644
--- a/src/CALPHADFreeEnergyFunctionsBinaryThreePhase.cc
+++ b/src/CALPHADFreeEnergyFunctionsBinaryThreePhase.cc
@@ -377,10 +377,6 @@ double CALPHADFreeEnergyFunctionsBinaryThreePhase::fchem(
     double fa        = 0.;
     double fb        = 0.;
 
-    bool pure_phase_0 = phi[0] > tol;
-    bool pure_phase_1 = phi[1] > tol;
-    bool pure_phase_2 = phi[2] > tol;
-
     if ((1.0 - phi[0] > tol) && (1.0 - phi[1] > tol) && (1.0 - phi[2] > tol))
     {
         computePhasesFreeEnergies(temperature, hcphi, conc[0], fl, fa, fb);
diff --git a/src/CALPHADSpeciesPhaseGibbsEnergy.cc b/src/CALPHADSpeciesPhaseGibbsEnergy.cc
index 9b6f6ff..1df3eef 100644
--- a/src/CALPHADSpeciesPhaseGibbsEnergy.cc
+++ b/src/CALPHADSpeciesPhaseGibbsEnergy.cc
@@ -24,7 +24,7 @@ namespace Thermo4PFM
 {
 
 void read_optional(pt::ptree& db, const std::string key,
-    std::vector<double>& coeffs, const int nintervals)
+    std::vector<double>& coeffs, const unsigned int nintervals)
 {
     if (db.get_child_optional(key))
     {
@@ -57,7 +57,7 @@ void CALPHADSpeciesPhaseGibbsEnergy::initialize(
     assert(ntc > 1);
     assert(ntc < MAXNINTERVALS + 2);
 
-    for (int i = 0; i < ntc; i++)
+    for (size_t i = 0; i < ntc; i++)
         tc_[i] = tmp[i];
     nintervals_ = ntc - 1;
 
diff --git a/src/LinearSolver.cc b/src/LinearSolver.cc
index 681c9ab..fcb4b3e 100644
--- a/src/LinearSolver.cc
+++ b/src/LinearSolver.cc
@@ -27,9 +27,9 @@ void LinearSolver<Dimension, SolverType, JacobianDataType>::CopyMatrix(
     assert(dst != nullptr);
 #endif
 
-    for (int jj = 0; jj < Dimension; jj++)
+    for (unsigned int jj = 0; jj < Dimension; jj++)
     {
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             dst[jj][ii] = src[jj][ii];
         }
@@ -47,7 +47,7 @@ void LinearSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
 
     JacobianDataType memf[Dimension * Dimension];
     JacobianDataType* mwork[Dimension];
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         mwork[ii] = &memf[ii * Dimension];
     }
@@ -56,10 +56,10 @@ void LinearSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
     const double D_inv = 1.0 / D;
 
     // use Cramer's rule to solve linear system
-    for (int jj = 0; jj < Dimension; jj++)
+    for (unsigned int jj = 0; jj < Dimension; jj++)
     {
         CopyMatrix(mwork, fjac);
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             mwork[ii][jj] = fvec[ii];
         }
@@ -67,7 +67,7 @@ void LinearSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
         del_c[jj] = D_inv * evalDeterminant<Dimension, JacobianDataType>(mwork);
     }
 
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         c[ii] = c[ii] - del_c[ii];
     }
@@ -88,18 +88,18 @@ int LinearSolver<Dimension, SolverType,
 
     JacobianDataType ftmp[Dimension * Dimension];
     JacobianDataType* fjac[Dimension];
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         fjac[ii] = &ftmp[ii * Dimension];
     }
 
 #ifndef HAVE_OPENMP_OFFLOAD
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
         assert(conc[ii] == conc[ii]);
 #endif
     internalRHS(conc, fvec);
 #ifndef HAVE_OPENMP_OFFLOAD
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
         assert(fvec[ii] == fvec[ii]);
 #endif
 
diff --git a/src/NewtonSolver.cc b/src/NewtonSolver.cc
index 73dcab9..d273afb 100644
--- a/src/NewtonSolver.cc
+++ b/src/NewtonSolver.cc
@@ -36,7 +36,7 @@ bool NewtonSolver<Dimension, SolverType, JacobianDataType>::CheckTolerance(
     const double* const fvec, const double tol)
 {
     bool ret = true;
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         ret = (ret && (fabs(fvec[ii]) < tol));
     }
@@ -56,9 +56,9 @@ void NewtonSolver<Dimension, SolverType, JacobianDataType>::CopyMatrix(
     assert(dst != nullptr);
 #endif
 
-    for (int jj = 0; jj < Dimension; jj++)
+    for (unsigned int jj = 0; jj < Dimension; jj++)
     {
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             dst[jj][ii] = src[jj][ii];
         }
@@ -77,7 +77,7 @@ void NewtonSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
 
     JacobianDataType memf[Dimension * Dimension];
     JacobianDataType* mwork[Dimension];
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         mwork[ii] = &memf[ii * Dimension];
     }
@@ -86,10 +86,10 @@ void NewtonSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
     const double D_inv = 1.0 / D;
 
     // use Cramer's rule to solve linear system
-    for (int jj = 0; jj < Dimension; jj++)
+    for (unsigned int jj = 0; jj < Dimension; jj++)
     {
         CopyMatrix(mwork, fjac);
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             mwork[ii][jj] = fvec[ii];
         }
@@ -103,7 +103,7 @@ void NewtonSolver<Dimension, SolverType, JacobianDataType>::UpdateSolution(
         // std::cout << "del_c[" << jj << "] = " << del_c[jj] << std::endl;
     }
 
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         c[ii] = c[ii] - alpha * del_c[ii];
     }
@@ -120,7 +120,7 @@ int NewtonSolver<Dimension, SolverType,
     const int max_iters, const double alpha)
 {
     // assert(max_iters > 1);
-    // for (int ii = 0; ii < Dimension; ii++)
+    // for (unsigned int ii = 0; ii < Dimension; ii++)
     //    assert(conc[ii] == conc[ii]);
 
 #ifdef WITH_CONVERGENCE_HISTORY
@@ -136,7 +136,7 @@ int NewtonSolver<Dimension, SolverType,
 
     JacobianDataType ftmp[Dimension * Dimension];
     JacobianDataType* fjac[Dimension];
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         fjac[ii] = &ftmp[ii * Dimension];
     }
@@ -147,20 +147,20 @@ int NewtonSolver<Dimension, SolverType,
     while (1)
     {
 #ifndef HAVE_OPENMP_OFFLOAD
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
             assert(conc[ii] == conc[ii]);
 #endif
 #ifdef WITH_CONVERGENCE_HISTORY
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
             ctmp.push_back(conc[ii]);
 #endif
         internalRHS(conc, fvec);
 #ifndef HAVE_OPENMP_OFFLOAD
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
             assert(fvec[ii] == fvec[ii]);
 #endif
 #ifdef WITH_CONVERGENCE_HISTORY
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
             residual.push_back(fvec[ii]);
 #endif
 
@@ -185,12 +185,12 @@ int NewtonSolver<Dimension, SolverType,
     for (unsigned j = 0; j < ctmp.size(); j = j + Dimension)
     {
         std::cout << "  conc= ";
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             std::cout << ctmp[j + ii] << "   ";
         }
         std::cout << ", rhs = ";
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             std::cout << residual[j + ii] << "   ";
         }
@@ -198,11 +198,11 @@ int NewtonSolver<Dimension, SolverType,
     }
     std::cout << "======================" << std::endl;
     std::cout << "Final solution:" << std::endl;
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         std::cout << "  conc[" << ii << "] = " << conc[ii] << std::endl;
     }
-    for (int ii = 0; ii < Dimension; ii++)
+    for (unsigned int ii = 0; ii < Dimension; ii++)
     {
         std::cout << "  rhs[" << ii << "] = " << fvec[ii] << std::endl;
     }
@@ -213,7 +213,7 @@ int NewtonSolver<Dimension, SolverType,
 #ifndef HAVE_OPENMP_OFFLOAD
         std::cerr << "Error: too many iterations in NewtonSolver" << std::endl;
         std::cerr << iterations << " iterations..." << std::endl;
-        for (int ii = 0; ii < Dimension; ii++)
+        for (unsigned int ii = 0; ii < Dimension; ii++)
         {
             std::cout << "  conc[" << ii << "] = " << conc[ii] << "  rhs[" << ii
                       << "] = " << fvec[ii] << std::endl;
diff --git a/src/QuadraticFreeEnergyFunctionsBinary.h b/src/QuadraticFreeEnergyFunctionsBinary.h
index 9f95b0c..91c856f 100644
--- a/src/QuadraticFreeEnergyFunctionsBinary.h
+++ b/src/QuadraticFreeEnergyFunctionsBinary.h
@@ -56,22 +56,21 @@ class QuadraticFreeEnergyFunctionsBinary
         std::ostream& os);
 
 private:
-    EnergyInterpolationType energy_interp_func_type_;
-    ConcInterpolationType conc_interp_func_type_;
-
     char* fenergy_diag_filename_;
 
     const double Tref_;
 
     const double Al_;
-    const double Aa_;
-
     const double ceql_;
-    const double ceqa_;
-
     const double m_liquid_;
+
+    const double Aa_;
+    const double ceqa_;
     const double m_solid_;
 
+    EnergyInterpolationType energy_interp_func_type_;
+    ConcInterpolationType conc_interp_func_type_;
+
     void computePhasesFreeEnergies(const double temperature,
         const double* const hphi, const double conc, double& fl, double& fa);
 
diff --git a/src/QuadraticFreeEnergyFunctionsBinaryThreePhase.h b/src/QuadraticFreeEnergyFunctionsBinaryThreePhase.h
index 6092c4a..304a41a 100644
--- a/src/QuadraticFreeEnergyFunctionsBinaryThreePhase.h
+++ b/src/QuadraticFreeEnergyFunctionsBinaryThreePhase.h
@@ -60,19 +60,20 @@ class QuadraticFreeEnergyFunctionsBinaryThreePhase
         std::ostream& os);
 
 private:
-    EnergyInterpolationType energy_interp_func_type_;
-    ConcInterpolationType conc_interp_func_type_;
-
-    char* fenergy_diag_filename_;
-
     double Al_;
-    double Aa_;
-    double Ab_;
-
     double ceql_;
+
+    double Aa_;
     double ceqa_;
+
+    double Ab_;
     double ceqb_;
 
+    EnergyInterpolationType energy_interp_func_type_;
+    ConcInterpolationType conc_interp_func_type_;
+
+    char* fenergy_diag_filename_;
+
     void computePhasesFreeEnergies(const double temperature,
         const double* const hphi, const double conc, double& fl, double& fa,
         double& fb);
diff --git a/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.cc b/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.cc
index 4b3a051..15bd9a8 100644
--- a/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.cc
+++ b/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.cc
@@ -17,10 +17,10 @@ QuadraticFreeEnergyFunctionsTernaryThreePhase::
         const EnergyInterpolationType energy_interp_func_type,
         const ConcInterpolationType conc_interp_func_type)
     : Al_{ Al[0], Al[1] },
-      ceql_{ ceql[0], ceql[1] },
       Aa_{ Aa[0], Aa[1] },
-      ceqa_{ ceqa[0], ceqa[1] },
       Ab_{ Ab[0], Ab[1] },
+      ceql_{ ceql[0], ceql[1] },
+      ceqa_{ ceqa[0], ceqa[1] },
       ceqb_{ ceqb[0], ceqb[1] },
       energy_interp_func_type_(energy_interp_func_type),
       conc_interp_func_type_(conc_interp_func_type)
@@ -242,5 +242,4 @@ double QuadraticFreeEnergyFunctionsTernaryThreePhase::fchem(
 
     return (1.0 - hfphi) * fl + hfphi * fa;
 }
-
 }
diff --git a/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.h b/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.h
index 54b93bd..49be2c5 100644
--- a/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.h
+++ b/src/QuadraticFreeEnergyFunctionsTernaryThreePhase.h
@@ -30,16 +30,12 @@ class QuadraticFreeEnergyFunctionsTernaryThreePhase
     void computeSecondDerivativeFreeEnergy(const double temp,
         const double* const conc, const PhaseIndex pi, double* d2fdc2);
 
-
     int computePhaseConcentrations(const double temperature,
         const double* const conc, const double* const phi, double* x);
     double fchem(const double* const phi, const double* const conc,
         const double temperature);
 
 private:
-    EnergyInterpolationType energy_interp_func_type_;
-    ConcInterpolationType conc_interp_func_type_;
-
     const double Al_[2];
     const double Aa_[2];
     const double Ab_[2];
@@ -48,6 +44,9 @@ class QuadraticFreeEnergyFunctionsTernaryThreePhase
     const double ceqa_[2];
     const double ceqb_[2];
 
+    EnergyInterpolationType energy_interp_func_type_;
+    ConcInterpolationType conc_interp_func_type_;
+
     void computePhasesFreeEnergies(const double temperature,
         const double* const hphi, const double conc0, const double conc1,
         double& fl, double& fa, double& fb);