pyEQL 1.4.0rc9__cp313-cp313-macosx_11_0_arm64.whl

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp

@@ -0,0 +1,133 @@
+/**************************************************************************
+ *                                                                        *
+ * File          : sundialsmath.c                                         *
+ * Programmers   : Scott D. Cohen and Alan C. Hindmarsh @ LLNL            *
+ * Version of    : 26 June 2002                                           *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California        *
+ * Produced at the Lawrence Livermore National Laboratory                 *
+ * All rights reserved                                                    *
+ * For details, see LICENSE below                                         *
+ *------------------------------------------------------------------------*
+ * This is the implementation file for a C math library.                  *
+ *                                                                        *
+ *------------------------------------------------------------------------*
+ * LICENSE                                                                *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California.       *
+ * Produced at the Lawrence Livermore National Laboratory.                *
+ * Written by S.D. Cohen, A.C. Hindmarsh, R. Serban,                      *
+ *            D. Shumaker, and A.G. Taylor.                               *
+ * UCRL-CODE-155951    (CVODE)                                            *
+ * UCRL-CODE-155950    (CVODES)                                           *
+ * UCRL-CODE-155952    (IDA)                                              *
+ * UCRL-CODE-237203    (IDAS)                                             *
+ * UCRL-CODE-155953    (KINSOL)                                           *
+ * All rights reserved.                                                   *
+ *                                                                        *
+ * This file is part of SUNDIALS.                                         *
+ *                                                                        *
+ * Redistribution and use in source and binary forms, with or without     *
+ * modification, are permitted provided that the following conditions     *
+ * are met:                                                               *
+ *                                                                        *
+ * 1. Redistributions of source code must retain the above copyright      *
+ * notice, this list of conditions and the disclaimer below.              *
+ *                                                                        *
+ * 2. Redistributions in binary form must reproduce the above copyright   *
+ * notice, this list of conditions and the disclaimer (as noted below)    *
+ * in the documentation and/or other materials provided with the          *
+ * distribution.                                                          *
+ *                                                                        *
+ * 3. Neither the name of the UC/LLNL nor the names of its contributors   *
+ * may be used to endorse or promote products derived from this software  *
+ * without specific prior written permission.                             *
+ *                                                                        *
+ * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS    *
+ * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT      *
+ * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS      *
+ * FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE         *
+ * REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE U.S. DEPARTMENT OF ENERGY *
+ * OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,        *
+ * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT       *
+ * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,  *
+ * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY  *
+ * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT    *
+ * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE  *
+ * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.   *
+ **************************************************************************/
+
+
+#include <stdio.h>
+#include <cmath>
+#include "sundialsmath.h"
+#include "sundialstypes.h"
+
+#if defined(PHREEQCI_GUI)
+#ifdef _DEBUG
+#define new DEBUG_NEW
+#undef THIS_FILE
+static char THIS_FILE[] = __FILE__;
+#endif
+#endif
+
+#define ZERO RCONST(0.0)
+#define ONE  RCONST(1.0)
+#define TWO  RCONST(2.0)
+
+realtype
+UnitRoundoff(void)
+{
+	realtype u;
+	volatile realtype one_plus_u;
+
+	u = ONE;
+	one_plus_u = ONE + u;
+	while (one_plus_u != ONE)
+	{
+		u /= TWO;
+		one_plus_u = ONE + u;
+	}
+	u *= TWO;
+
+	return (u);
+}
+
+
+realtype
+RPowerI(realtype base, int exponent)
+{
+	int i, expt;
+	realtype prod;
+
+	prod = ONE;
+	expt = ABS(exponent);
+	for (i = 1; i <= expt; i++)
+		prod *= base;
+	if (exponent < 0)
+		prod = ONE / prod;
+	return (prod);
+}
+
+
+realtype
+RPowerR(realtype base, realtype exponent)
+{
+
+	if (base <= ZERO)
+		return (ZERO);
+
+	/*  return((realtype)pow((double)base,(double)exponent)); */
+	return ((realtype) pow(base, exponent));
+}
+
+
+realtype
+RSqrt(realtype x)
+{
+	if (x <= ZERO)
+		return (ZERO);
+
+	/*  return((realtype) sqrt((double) x)); */
+	return ((realtype) sqrt(x));
+}

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h

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+/**************************************************************************
+ *                                                                        *
+ * File          : sundialsmath.h                                         *
+ * Programmers   : Scott D. Cohen and Alan C. Hindmarsh @ LLNL            *
+ * Version of    : 26 June 2002                                           *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California        *
+ * Produced at the Lawrence Livermore National Laboratory                 *
+ * All rights reserved                                                    *
+ * For details, see LICENSE below                                         *
+ *------------------------------------------------------------------------*
+ * This is the header file for a C math library. The routines             *
+ * 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 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 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.                                          *
+ *                                                                        *
+ *------------------------------------------------------------------------*
+ * LICENSE                                                                *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California.       *
+ * Produced at the Lawrence Livermore National Laboratory.                *
+ * Written by S.D. Cohen, A.C. Hindmarsh, R. Serban,                      *
+ *            D. Shumaker, and A.G. Taylor.                               *
+ * UCRL-CODE-155951    (CVODE)                                            *
+ * UCRL-CODE-155950    (CVODES)                                           *
+ * UCRL-CODE-155952    (IDA)                                              *
+ * UCRL-CODE-237203    (IDAS)                                             *
+ * UCRL-CODE-155953    (KINSOL)                                           *
+ * All rights reserved.                                                   *
+ *                                                                        *
+ * This file is part of SUNDIALS.                                         *
+ *                                                                        *
+ * Redistribution and use in source and binary forms, with or without     *
+ * modification, are permitted provided that the following conditions     *
+ * are met:                                                               *
+ *                                                                        *
+ * 1. Redistributions of source code must retain the above copyright      *
+ * notice, this list of conditions and the disclaimer below.              *
+ *                                                                        *
+ * 2. Redistributions in binary form must reproduce the above copyright   *
+ * notice, this list of conditions and the disclaimer (as noted below)    *
+ * in the documentation and/or other materials provided with the          *
+ * distribution.                                                          *
+ *                                                                        *
+ * 3. Neither the name of the UC/LLNL nor the names of its contributors   *
+ * may be used to endorse or promote products derived from this software  *
+ * without specific prior written permission.                             *
+ *                                                                        *
+ * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS    *
+ * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT      *
+ * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS      *
+ * FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE         *
+ * REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE U.S. DEPARTMENT OF ENERGY *
+ * OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,        *
+ * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT       *
+ * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,  *
+ * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY  *
+ * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT    *
+ * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE  *
+ * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.   *
+ **************************************************************************/
+#ifndef _sundialsmath_h
+#define _sundialsmath_h
+
+#include "sundialstypes.h"
+
+
+/******************************************************************
+ *                                                                *
+ * Macros : MIN, MAX, ABS, SQR                                    *
+ *----------------------------------------------------------------*
+ * MIN(A, B) returns the minimum of A and B.                      *
+ *                                                                *
+ * MAX(A, B) returns the maximum of A and B.                      *
+ *                                                                *
+ * ABS(A) returns the absolute value of A.                        *
+ *                                                                *
+ * SQR(A) returns the square of A.                                *
+ *                                                                *
+ ******************************************************************/
+#ifndef MIN
+#define MIN(A, B) ((A) < (B) ? (A) : (B))
+#endif
+
+#ifndef MAX
+#define MAX(A, B) ((A) > (B) ? (A) : (B))
+#endif
+
+#ifndef ABS
+#define ABS(A)    ((A < 0) ? -(A) : (A))
+#endif
+
+#ifndef SQR
+#define SQR(A)    ((A) * (A))
+#endif
+
+/******************************************************************
+ *                                                                *
+ * Function : UnitRoundoff                                        *
+ * Usage    : realtype uround;                                    *
+ *            uround = UnitRoundoff();                            *
+ *----------------------------------------------------------------*
+ * UnitRoundoff returns the unit roundoff u for real floating     *
+ * point arithmetic, where u is defined to be the smallest        *
+ * positive real such that 1.0 + u != 1.0.                        *
+ *                                                                *
+ ******************************************************************/
+
+	realtype UnitRoundoff(void);
+
+
+/******************************************************************
+ *                                                                *
+ * Function : RPowerI                                             *
+ * Usage    : int exponent;                                       *
+ *            realtype base, ans;                                 *
+ *            ans = RPowerI(base,exponent);                       *
+ *----------------------------------------------------------------*
+ * RPowerI returns the value base^exponent, where base is a       *
+ * realtype and exponent is an int.                               *
+ *                                                                *
+ ******************************************************************/
+
+	realtype RPowerI(realtype base, int exponent);
+
+
+/******************************************************************
+ *                                                                *
+ * Function : RPowerR                                             *
+ * Usage    : realtype base, exponent, ans;                       *
+ *            ans = RPowerR(base,exponent);                       *
+ *----------------------------------------------------------------*
+ * RPowerR returns the value base^exponent, where both base and   *
+ * exponent are realtype. If base < 0.0, then RPowerR returns 0.0 *
+ *                                                                *
+ ******************************************************************/
+
+	realtype RPowerR(realtype base, realtype exponent);
+
+
+/******************************************************************
+ *                                                                *
+ * Function : RSqrt                                               *
+ * Usage    : realtype sqrt_x;                                    *
+ *            sqrt_x = RSqrt(x);                                  *
+ *----------------------------------------------------------------*
+ * RSqrt(x) returns the square root of x. If x < 0.0, then RSqrt  *
+ * returns 0.0.                                                   *
+ *                                                                *
+ ******************************************************************/
+
+	realtype RSqrt(realtype x);
+
+
+#endif

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h

@@ -0,0 +1,183 @@
+#if defined(WIN32)
+#include <windows.h>
+#endif
+#include "phrqtype.h"
+#ifndef _INC_SUNDIALSTYPES_H
+#define _INC_SUNDIALSTYPES_H
+/**************************************************************************
+ *                                                                        *
+ * File          : sundialstypes.h                                        *
+ * Programmers   : Scott D. Cohen and Alan C. Hindmarsh @ LLNL            *
+ * Version of    : 26 June 2002                                           *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California        *
+ * Produced at the Lawrence Livermore National Laboratory                 *
+ * All rights reserved                                                    *
+ * For details, see LICENSE below                                         *
+ *------------------------------------------------------------------------*
+ * This header file exports three types: realtype, integertype,           *
+ * and booleantype, as well as the constants TRUE and FALSE.              *
+ *                                                                        *
+ * Users should #include "sundialstypes.h" in any file that               *
+ * shhould be easily modifiable to work with different real or            *
+ * integer types and use the exported names realtype and                  *
+ * integertype within such a file.                                        *
+ * 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 real(kind=8)                *
+ * floating point arithmetic is too expensive on the user's               *
+ * machine, then the definition below should be changed to:               *
+ *                                                                        *
+ * typedef float realtype;                                                *
+ *                                                                        *
+ * Similarly, if a user does not need to work with extremely large        *
+ * integers (see the system header file <limits.h> for the limits         *
+ * on type int and long int on your machine), then the user               *
+ * should change the definition below to:                                 *
+ *                                                                        *
+ * typedef int integertype;                                               *
+ *                                                                        *
+ * The constants SUNDIALS_FLOAT, SUNDIALS_DOUBLE, SUNDIALS_INT,           *
+ * SUNDIALS_LONG indicate the underlying types for realtype and           *
+ * integertype. They should be set as follows:                            *
+ *                                                                        *
+ * (1) #define SUNDIALS_FLOAT 1                                           *
+ *     #define SUNDIALS_DOUBLE 0     (real is float)                      *
+ *                                                                        *
+ * (2) #define SUNDIALS_FLOAT 0                                           *
+ *     #define SUNDIALS_DOUBLE 1     (real is double)                     *
+ *                                                                        *
+ * (3) #define SUNDIALS_INT 1                                             *
+ *     #define SUNDIALS_LONG 0   (integer is int)                         *
+ *                                                                        *
+ * (4) #define SUNDIALS_INT 0                                             *
+ *     #define SUNDIALS_LONG 1   (integer is long int)                    *
+ *                                                                        *
+ * Thus the legal types for realtype are float and double, while          *
+ * the legal types for integertype are int and long int.                  *
+ * The macro RCONST gives a user a convenient way to define real          *
+ * constants. To use the real constant 1.0, for example, the              *
+ * user should write                                                      *
+ *                                                                        *
+ * #define ONE RCONST(1.0)                                                *
+ *                                                                        *
+ * If realtype is double, then RCONST(1.0) expands to 1.0.                *
+ * If realtype is float, then RCONST(1.0) expands to 1.0F.                *
+ * There is never a need to explicitly cast 1.0 to (realtype).            *
+ *                                                                        *
+ *------------------------------------------------------------------------*
+ * LICENSE                                                                *
+ *------------------------------------------------------------------------*
+ * Copyright (c) 2002, The Regents of the University of California.       *
+ * Produced at the Lawrence Livermore National Laboratory.                *
+ * Written by S.D. Cohen, A.C. Hindmarsh, R. Serban,                      *
+ *            D. Shumaker, and A.G. Taylor.                               *
+ * UCRL-CODE-155951    (CVODE)                                            *
+ * UCRL-CODE-155950    (CVODES)                                           *
+ * UCRL-CODE-155952    (IDA)                                              *
+ * UCRL-CODE-237203    (IDAS)                                             *
+ * UCRL-CODE-155953    (KINSOL)                                           *
+ * All rights reserved.                                                   *
+ *                                                                        *
+ * This file is part of SUNDIALS.                                         *
+ *                                                                        *
+ * Redistribution and use in source and binary forms, with or without     *
+ * modification, are permitted provided that the following conditions     *
+ * are met:                                                               *
+ *                                                                        *
+ * 1. Redistributions of source code must retain the above copyright      *
+ * notice, this list of conditions and the disclaimer below.              *
+ *                                                                        *
+ * 2. Redistributions in binary form must reproduce the above copyright   *
+ * notice, this list of conditions and the disclaimer (as noted below)    *
+ * in the documentation and/or other materials provided with the          *
+ * distribution.                                                          *
+ *                                                                        *
+ * 3. Neither the name of the UC/LLNL nor the names of its contributors   *
+ * may be used to endorse or promote products derived from this software  *
+ * without specific prior written permission.                             *
+ *                                                                        *
+ * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS    *
+ * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT      *
+ * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS      *
+ * FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE         *
+ * REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE U.S. DEPARTMENT OF ENERGY *
+ * OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,        *
+ * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT       *
+ * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,  *
+ * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY  *
+ * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT    *
+ * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE  *
+ * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.   *
+ **************************************************************************/
+#ifndef _sundialstypes_h
+#define _sundialstypes_h
+
+
+/******************************************************************
+ *                                                                *
+ * Types : realtype, integertype                                  *
+ *----------------------------------------------------------------*
+ * The types realtype and integertype are currently set to double *
+ * and int, respectively. See the documentation at the top for    *
+ * usage details and a description of associated constants and    *
+ * macros.                                                        *
+ *                                                                *
+ ******************************************************************/
+
+	typedef LDBLE realtype;
+	typedef long int integertype;
+
+#define SUNDIALS_FLOAT  0
+#define SUNDIALS_DOUBLE 1
+
+#define SUNDIALS_LONG 1
+#define SUNDIALS_INT  0
+
+#if SUNDIALS_FLOAT
+
+#define RCONST(x) x##F
+
+#elif SUNDIALS_DOUBLE
+
+#define RCONST(x) x
+
+#endif
+
+
+/******************************************************************
+ *                                                                *
+ * Type : booleantype                                             *
+ * Constants : FALSE, TRUE                                        *
+ *----------------------------------------------------------------*
+ * ANSI C does not have a built-in boolean type. Below is the     *
+ * definition for a new type booleantype. The advantage of using  *
+ * the name booleantype (instead of int) is an increase in code   *
+ * readability.                                                   *
+ * It allows the programmer to make a distinction between int and *
+ * boolean data. Variables of type booleantype are intended to    *
+ * have only the two values FALSE and TRUE which are defined      *
+ * below to be equal to 0 and 1, respectively.                    *
+ *                                                                *
+ ******************************************************************/
+
+#ifndef booleantype
+#define booleantype int
+#endif
+
+#ifndef FALSE
+#define FALSE 0
+#endif
+
+#ifndef TRUE
+#define TRUE 1
+#endif
+
+#endif
+/*
+#ifdef __cplusplus
+}
+#endif
+*/
+#endif /* _INC_SUNDIALSTYPES_H */