Squashed 'src/' changes from c0e62935..25f24721

25f24721 fixed compiler warnings except NAN
3f24bf17 moved enum to RMVARS.h
54045123 changed all double precision to real(kind=8) in all files. Compiles and runs test cases.

git-subtree-dir: src
git-subtree-split: 25f2472130c22c1a63e15f0fa58f1021c83a7b4a

CVar.hxx

@@ -12,7 +12,7 @@ public:
 	{
 		::VarInit(this);
 	}
-	~CVar(void) throw()
+	~CVar(void) //throw()
 	{
 		Clear();
 	}

IPhreeqc.h

@@ -1672,9 +1672,9 @@ Headings
  *  FUNCTION SetBasicFortranCallback(ID,FCN)
  *    INTEGER(KIND=4),  INTENT(IN)  :: ID
  *    INTERFACE
- *      DOUBLE PRECISION FUNCTION FCN(x1, x2, str)
+ *      real(kind=8) FUNCTION FCN(x1, x2, str)
- *        DOUBLE PRECISION, INTENT(in) :: x1
+ *        real(kind=8), INTENT(in) :: x1
- *        DOUBLE PRECISION, INTENT(in) :: x2
+ *        real(kind=8), INTENT(in) :: x2
  *        CHARACTER(*), INTENT(in)     :: str
  *      END FUNCTION
  *    END INTERFACE

IPhreeqc.hpp

@@ -713,7 +713,7 @@ public:
 	 *  Sets a Fortran callback function for Basic programs. The syntax for the Basic command is
 	 *  10 result = CALLBACK(x1, x2, string$)
 	 *  The syntax for the Fortran function is
-	 *  double precision my_callback(x1, x2, string), where x1 and x2 are double precision and string is a character variable.
+	 *  real(kind=8) my_callback(x1, x2, string), where x1 and x2 are real(kind=8) and string is a character variable.
 	 *  @param fcn              The name of a user-defined function.
 	 *  @see                    SetBasicCallback
 	 */

IPhreeqc_interface.F90

@@ -688,7 +688,7 @@ INTEGER FUNCTION GetSelectedOutputValue(id, row, col, vtype, dvalue, svalue, sle
     END INTERFACE
     INTEGER, INTENT(in) :: id, row, col
     INTEGER, INTENT(out) :: vtype
-    DOUBLE PRECISION, INTENT(out) :: dvalue
+    real(kind=8), INTENT(out) :: dvalue
     CHARACTER(len=*), INTENT(out) :: svalue
     INTEGER, INTENT(out), OPTIONAL :: slength
     INTEGER :: sz, sz_fortran
@@ -898,9 +898,9 @@ INTEGER FUNCTION SetBasicFortranCallback(id, fcn)
             IMPLICIT NONE
             INTEGER, INTENT(in) :: id
             INTERFACE
-                DOUBLE PRECISION FUNCTION fcn(x1, x2, str, l)
+                real(kind=8) FUNCTION fcn(x1, x2, str, l)
                     INTEGER, INTENT(in)   :: l
-                    DOUBLE PRECISION, INTENT(in) :: x1, x2
+                    real(kind=8), INTENT(in) :: x1, x2
                     CHARACTER, INTENT(in) :: str(*)
                 END FUNCTION fcn
            END INTERFACE
@@ -908,9 +908,9 @@ INTEGER FUNCTION SetBasicFortranCallback(id, fcn)
     END INTERFACE
     INTEGER, INTENT(in) :: id     
     INTERFACE
-        DOUBLE PRECISION FUNCTION fcn(x1, x2, str, l) 
+        real(kind=8) FUNCTION fcn(x1, x2, str, l) 
             INTEGER, INTENT(in)          :: l
-            DOUBLE PRECISION, INTENT(in) :: x1, x2
+            real(kind=8), INTENT(in) :: x1, x2
             CHARACTER, INTENT(in) :: str(*)
         END FUNCTION fcn
     END INTERFACE

phreeqcpp/cl1.cpp

@@ -142,7 +142,7 @@ cl1(int k, int l, int m, int n,
 /*        AT LEAST NKLMD COLUMNS USED FOR WORKSPACE. */
 /* S      INTEGER ARRAY OF SIZE AT LEAST KLMD, USED FOR */
 /*        WORKSPACE. */
-/*      DOUBLE PRECISION DBLE */
+/*      real(kind=8) DBLE */
 /*      REAL */
 
 /* INITIALIZATION. */

phreeqcpp/gases.cpp

@@ -624,7 +624,6 @@ int Phreeqc::
 calc_fixed_volume_gas_pressures(void)
 /* ---------------------------------------------------------------------- */
 {
-	int n_g = 0;
 	LDBLE lp;
 	class rxn_token *rxn_ptr;
 	class phase *phase_ptr;
@@ -645,7 +644,6 @@ calc_fixed_volume_gas_pressures(void)
 		{
 			if (!PR && phase_ptr->t_c > 0 && phase_ptr->p_c > 0)
 				PR = true;
-			n_g++;
 		}
 		gas_phase_ptr->Set_total_moles(gas_phase_ptr->Get_total_moles() + gas_unknowns[i]->moles);
 	}

phreeqcpp/model.cpp

@@ -2543,7 +2543,6 @@ int Phreeqc::
 calc_gas_pressures(void)
 /* ---------------------------------------------------------------------- */
 {
-	int n_g = 0;
 	LDBLE lp, V_m = 0;
 	class rxn_token *rxn_ptr;
 	std::vector<class phase *> phase_ptrs;
@@ -2576,7 +2575,6 @@ calc_gas_pressures(void)
 			phase_ptrs.push_back(phase_ptr);
 			if (!PR && phase_ptr->t_c > 0 && phase_ptr->p_c > 0)
 				PR = true;
-			n_g++;
 		}
 		if (iterations > 2 && gas_phase_ptr->Get_type() == cxxGasPhase::GP_VOLUME)
 		{
@@ -3778,7 +3776,6 @@ residuals(void)
 	int converge;
 
 	LDBLE l_toler;
-	LDBLE sum_residual;
 	LDBLE sinh_constant;
 	LDBLE sum, sum1;
 	class master *master_ptr, *master_ptr1, *master_ptr2;
@@ -3786,7 +3783,6 @@ residuals(void)
 	int print_fail;
 	std::vector<LDBLE> cd_psi;
 	print_fail = FALSE;
-	sum_residual = 0.0;
 	sigmaddl = 0;
 	sum = 0;
 /*
@@ -4530,7 +4526,6 @@ residuals(void)
  *   Store residuals in array
  */
 		my_array[((size_t)i + 1) * (count_unknowns + 1) - 1] = residual[i];
-		sum_residual += fabs(residual[i]);
 	}
 /*
  *   Return

phreeqcpp/pitzer.cpp

@@ -52,7 +52,7 @@ pitzer_tidy(void)
 	const char *string1, *string2;
 	int i, j, order;
 	int i0, i1, i2;
-	int count_pos, count_neg, count_neut, count[3], jj;
+	int count_neut, count[3], jj;
 	LDBLE z0, z1;
 	class pitz_param *pzp_ptr;
 	class theta_param *theta_param_ptr;
@@ -339,21 +339,21 @@ pitzer_tidy(void)
 			i0 = pitz_params[i]->ispec[0];
 			i1 = pitz_params[i]->ispec[1];
 			i2 = pitz_params[i]->ispec[2];
-			count_pos = count_neg = count_neut = 0;
+			count_neut = 0;
 			for (j = 0; j <= 2; j++)
 			{
-				if (spec[pitz_params[i]->ispec[j]]->z > 0)
+				//if (spec[pitz_params[i]->ispec[j]]->z > 0)
-				{
+				//{
-					count_pos++;
+				//	count_pos++;
-				}
+				//}
 				if (spec[pitz_params[i]->ispec[j]]->z == 0)
 				{
 					count_neut++;
 				}
-				if (spec[pitz_params[i]->ispec[j]]->z < 0)
+				//if (spec[pitz_params[i]->ispec[j]]->z < 0)
-				{
+				//{
-					count_neg++;
+				//	count_neg++;
-				}
+				//}
 			}
 			/* All neutral */
 			if (count_neut == 3)

phreeqcpp/prep.cpp

@@ -1980,14 +1980,13 @@ get_list_master_ptrs(const char* cptr, class master *master_ptr)
  *   Output: space is allocated and a list of master species pointers is
  *           returned.
  */
-	int j, l, count_list;
+	int j, l;
 	char token[MAX_LENGTH];
 	std::vector<class master*> master_ptr_list;
 	class master *master_ptr0;
 /*
  *   Make list of master species pointers
  */
-	count_list = 0;
 	//master_ptr_list = unknown_alloc_master();
 	master_ptr0 = master_ptr;
 	if (master_ptr0 == master_ptr->s->primary)
@@ -2147,7 +2146,7 @@ mb_for_species_aq(int n)
  *                             by coef, usually moles.
  *        mb_unknowns.coef - coefficient of s[n] in equation or relation
  */
-	int i, j;
+	int i;
 	class master *master_ptr;
 	class unknown *unknown_ptr;
 
@@ -2223,7 +2222,6 @@ mb_for_species_aq(int n)
  */
 	if (use.Get_surface_ptr() != NULL && s[n]->type < H2O && dl_type_x != cxxSurface::NO_DL)
 	{
-		j = 0;
 		for (i = 0; i < count_unknowns; i++)
 		{
 			if (x[i]->type == SURFACE_CB)
@@ -2235,7 +2233,6 @@ mb_for_species_aq(int n)
 
 				store_mb_unknowns(unknown_ptr, s_diff_layer[n][charge_ptr->Get_name()].Get_g_moles_address(),
 								  s[n]->z, s_diff_layer[n][charge_ptr->Get_name()].Get_dg_g_moles_address());
-				j++;
 			}
 		}
 	}

phreeqcpp/spread.cpp

@@ -1141,7 +1141,7 @@ copy_token_tab(std::string& token, const char **cptr)
  *      EOL,
  *      UNKNOWN.
  */
-	int i, return_value;
+	int return_value;
 	char c;
 /*
  *   Strip leading spaces
@@ -1180,7 +1180,6 @@ copy_token_tab(std::string& token, const char **cptr)
 /*
  *   Begin copying to token
  */
-	i = 0;
 	for (;;)
 	{
 		c = **cptr;
@@ -1197,7 +1196,6 @@ copy_token_tab(std::string& token, const char **cptr)
 		{
 			token.push_back(c);
 			(*cptr)++;
-			i++;
 		}
 	}
 	return (return_value);

phreeqcpp/sundialsmath.h

@@ -13,10 +13,10 @@
  * listed here work with the type realtype as defined in                  *
  * sundialstypes.h.                                                       *
  * To do single precision floating point arithmetic, set the type         *
- * realtype to be float. To do double precision arithmetic, set           *
+ * realtype to be float. To do real(kind=8) arithmetic, set           *
  * the type realtype to be double. The default implementations            *
  * for RPowerR and RSqrt call standard math library functions             *
- * which do double precision arithmetic. If this is unacceptable          *
+ * which do real(kind=8) arithmetic. If this is unacceptable          *
  * when realtype is float, then the user should re-implement              *
  * these two routines by calling single precision routines                *
  * available on his/her machine.                                          *

phreeqcpp/sundialstypes.h

@@ -25,7 +25,7 @@
  * The types for realtype and integertype below have been set to          *
  * double and long int, respectively. A user should modify these          *
  * type declarations as he/she sees fit. For example, if a user           *
- * wants the work with type float because double precision                *
+ * wants the work with type float because real(kind=8)                *
  * floating point arithmetic is too expensive on the user's               *
  * machine, then the definition below should be changed to:               *
  *                                                                        *

phreeqcpp/tally.cpp

@@ -798,7 +798,6 @@ build_tally_table(void)
  */
 	int j, k, l, p, save_print_use;
 	size_t n;
-	int count_tt_pure_phase, count_tt_ss_phase, count_tt_kinetics;
 	class phase *phase_ptr;
 	char token[MAX_LENGTH];
 	const char* cptr;
@@ -871,7 +870,6 @@ build_tally_table(void)
 /*
  *   Count pure phases
  */
-	count_tt_pure_phase = 0;
 	if (Rxn_pp_assemblage_map.size() > 0)
 	{
 		/* 
@@ -904,7 +902,6 @@ build_tally_table(void)
 				/*
 				 * Add to table
 				 */
-				count_tt_pure_phase++;
 				n = count_tally_table_columns;
 				extend_tally_table();
 				tally_table[n].name = phase_ptr->name;
@@ -931,7 +928,6 @@ build_tally_table(void)
 /*
  *   Add solid-solution pure phases
  */
-	count_tt_ss_phase = 0;
 	if (Rxn_ss_assemblage_map.size() > 0)
 	{
 		/* 
@@ -964,7 +960,6 @@ build_tally_table(void)
 					/*
 					 * Add to table
 					 */
-					count_tt_ss_phase++;
 					n = count_tally_table_columns;
 					extend_tally_table();
 					tally_table[n].name = phase_ptr->name;
@@ -982,7 +977,6 @@ build_tally_table(void)
 /*
  *   Add kinetic reactants
  */
-	count_tt_kinetics = 0;
 	if (Rxn_kinetics_map.size() > 0)
 	{
 		std::map<int, cxxKinetics>::iterator it;
@@ -1006,7 +1000,6 @@ build_tally_table(void)
 				/*
 				 * Add to table
 				 */
-				count_tt_kinetics++;
 				n = count_tally_table_columns;
 				extend_tally_table();
 				tally_table[n].name = string_hsave(kinetics_comp_ptr->Get_rate_name().c_str());