epyt-flow 0.14.2__py3-none-any.whl → 0.15.0b1__py3-none-any.whl

epyt_flow/EPANET/EPANET-MSX/Src/ros2.c

@@ -1,293 +0,0 @@
-/*******************************************************************************
-**  MODULE:        ROS2.C
-**  PROJECT:       EPANET-MSX
-**  DESCRIPTION:   a second order Rosenbrock 2(1) method for solving stiff sets of
-**                 ordinary differential equations.
-**  AUTHOR:        L. Rossman, US EPA - NRMRL
-**  VERSION:       2.0.00
-**  LAST UPDATE:   04/14/2021
-**
-**  This code is based on material presented in:
-**    Verwer, J.G., Spee, E.J., Blom, J.G. and Hundsdorfer, W.H.,
-**    "A second order Rosenbrock method applied to photochemical dispersion
-**    problems", SIAM J. Sci. Comput., 20:1456-1480, July 1999.
-*******************************************************************************/
-
-#include <stdlib.h>
-#include <math.h>
-#include "msxutils.h"
-#include "ros2.h"
-
-#define fmin(x,y) (((x)<=(y)) ? (x) : (y))     /* minimum of x and y    */
-#define fmax(x,y) (((x)>=(y)) ? (x) : (y))     /* maximum of x and y    */
-
-//  Local variables
-//-----------------
-MSXRosenbrock MSXRosenbrockSolver;
-
-#pragma omp threadprivate(MSXRosenbrockSolver)
-
-//=============================================================================
-
-int ros2_open(int n, int adjust)
-/*
-**  Purpose:
-**    Opens the ROS2 integrator.
-**
-**  Input:
-**    n = number of equations to be solved
-**    adjust = 1 if step size adjustment used, 0 if not
-**
-**  Returns:
-**    1 if successful, 0 if not.
-*/
-{
-    int errorcode = 1;
-    int n1 = n + 1;
-
-#pragma omp parallel
-{
-    MSXRosenbrockSolver.Nmax = n;
-    MSXRosenbrockSolver.Adjust = adjust;
-    MSXRosenbrockSolver.K1 = NULL;
-    MSXRosenbrockSolver.K2 = NULL;
-    MSXRosenbrockSolver.Jindx = NULL;
-    MSXRosenbrockSolver.Ynew = NULL;
-    MSXRosenbrockSolver.A = NULL;
-    MSXRosenbrockSolver.K1 = (double*)calloc(n1, sizeof(double));
-    MSXRosenbrockSolver.K2 = (double*)calloc(n1, sizeof(double));
-    MSXRosenbrockSolver.Jindx = (int*)calloc(n1, sizeof(int));
-    MSXRosenbrockSolver.Ynew = (double*)calloc(n1, sizeof(double));
-    MSXRosenbrockSolver.A = createMatrix(n1, n1);
-#pragma omp critical
-    {
-        if (!MSXRosenbrockSolver.Jindx || !MSXRosenbrockSolver.Ynew ||
-            !MSXRosenbrockSolver.K1 || !MSXRosenbrockSolver.K2) errorcode = 0;
-        if (!MSXRosenbrockSolver.A) errorcode = 0;
-    }
-}
-
-    return errorcode;
-}
-
-//=============================================================================
-
-void ros2_close()
-/*
-**  Purpose:
-**    closes the ROS2 integrator.
-**
-**  Input:
-**    none.
-*/
-{
-
-#pragma omp parallel
-{
-
-    if (MSXRosenbrockSolver.Jindx) { free(MSXRosenbrockSolver.Jindx); MSXRosenbrockSolver.Jindx = NULL; }
-    if (MSXRosenbrockSolver.Ynew) { free(MSXRosenbrockSolver.Ynew); MSXRosenbrockSolver.Ynew = NULL; }
-    if (MSXRosenbrockSolver.K1) { free(MSXRosenbrockSolver.K1); MSXRosenbrockSolver.K1 = NULL; }
-    if (MSXRosenbrockSolver.K2) { free(MSXRosenbrockSolver.K2); MSXRosenbrockSolver.K2 = NULL; }
-    freeMatrix(MSXRosenbrockSolver.A);
-    MSXRosenbrockSolver.A = NULL;
-}
-
-}
-
-//=============================================================================
-      
-int ros2_integrate(double y[], int n, double t, double tnext,
-                   double* htry, double atol[], double rtol[],
-                   void (*func)(double, double*, int, double*))
-/*
-**  Purpose:
-**    integrates a system of ODEs over a specified time interval.
-**
-**  Input:
-**    y[1..n] = vector of dependent variable values at the start
-**              of the integration interval
-**    n = number of dependent variables
-**    t = time value at the start of the interval
-**    tnext = time value at the end of the interval
-**    htry = initial step size to be taken
-**    atol[1..n] = vector of absolute tolerances on the variables y
-**    rtol[1..n] = vector of relative tolerances on the variables y
-**    func = name of the function that computes dy/dt for each y
-**
-**  Output:
-**    htry = size of the last full time step taken.
-**
-**  Returns:
-**    the number of times that func() was called, -1 if 
-**    the Jacobian is singular, or -2 if the step size
-**    shrinks to 0.
-**
-**  Notes:
-**  1. The arguments to the function func() are:
-**      t = current time
-**      y[1..n] = vector of dependent variable values
-**      n = number of dependent variables
-**      dfdy[1..n] = vector of derivative values computed.
-**
-**  2. The arrays used in this function are 1-based, so
-**     they must have been sized to n+1 when first created.
-*/
-{      
-    double UROUND = 2.3e-16;
-    double g, ghinv, ghinv1, dghinv, ytol;
-    double h, hold, hmin, hmax, tplus;
-    double ej, err, factor, facmax;
-    int    nfcn, njac, naccept, nreject, j;
-    int    isReject;
-	int    adjust = MSXRosenbrockSolver.Adjust;
-
-// --- Initialize counters, etc.
-
-    g = 1.0 + 1.0 / sqrt(2.0);
-    ghinv1 = 0.0;
-    tplus = t;
-    isReject = 0;
-    naccept  = 0;
-    nreject  = 0;
-    nfcn     = 0;
-    njac     = 0;
-
-// --- Initial step size
-
-    hmax = tnext - t;
-    hmin = 1.e-8;
-    h = *htry;
-    if ( h == 0.0 )
-    {
-        func(t, y, n, MSXRosenbrockSolver.K1);
-        nfcn += 1;
-        adjust = 1;
-        h = tnext - t;
-        for (j=1; j<=n; j++)
-        {
-            ytol = atol[j] + rtol[j]*fabs(y[j]);
-            if (MSXRosenbrockSolver.K1[j] != 0.0) h = fmin(h, (ytol/fabs(MSXRosenbrockSolver.K1[j])));
-        }
-    }
-    h = fmax(hmin, h);
-    h = fmin(hmax, h);
-
-// --- Start the time loop 
-
-    while ( t < tnext )
-    {
-    // --- check for zero step size
-
-        if (0.10*fabs(h) <= fabs(t)*UROUND) return -2;
-
-    // --- adjust step size if interval exceeded
-
-        tplus = t + h;
-        if ( tplus > tnext )
-        {
-            h = tnext - t;
-            tplus = tnext;
-        }
-
-    // --- Re-compute the Jacobian if step size accepted
-
-        if ( isReject == 0 )
-        {
-            jacobian(y, n, MSXRosenbrockSolver.K1, MSXRosenbrockSolver.K2, MSXRosenbrockSolver.A, func);
-            njac++;
-            nfcn += 2*n;
-            ghinv1 = 0.0;
-        }
-
-    // --- Update the Jacobian to reflect new step size
-
-        ghinv = -1.0 / (g*h);
-        dghinv = ghinv - ghinv1;
-        for (j=1; j<=n; j++)
-        {
-            MSXRosenbrockSolver.A[j][j] += dghinv;
-        }
-        ghinv1 = ghinv;
-        if ( !factorize(MSXRosenbrockSolver.A, n, MSXRosenbrockSolver.K1, MSXRosenbrockSolver.Jindx) ) return -1;
-
-    // --- Stage 1 solution
-
-        func(t, y, n, MSXRosenbrockSolver.K1);
-        nfcn += 1;
-        for (j=1; j<=n; j++) MSXRosenbrockSolver.K1[j] *= ghinv;
-        solve(MSXRosenbrockSolver.A, n, MSXRosenbrockSolver.Jindx, MSXRosenbrockSolver.K1);
-
-    // --- Stage 2 solution
-
-        for (j=1; j<=n; j++)
-        {
-            MSXRosenbrockSolver.Ynew[j] = y[j] + h* MSXRosenbrockSolver.K1[j];
-        }
-        func(t, MSXRosenbrockSolver.Ynew, n, MSXRosenbrockSolver.K2);
-        nfcn += 1;
-        for (j=1; j<=n; j++)
-        {
-            MSXRosenbrockSolver.K2[j] = (MSXRosenbrockSolver.K2[j] - 2.0* MSXRosenbrockSolver.K1[j])*ghinv;
-        }
-        solve(MSXRosenbrockSolver.A, n, MSXRosenbrockSolver.Jindx, MSXRosenbrockSolver.K2);
-
-    // --- Overall solution
-
-        for (j=1; j<=n; j++)
-        {
-            MSXRosenbrockSolver.Ynew[j] = y[j] + 1.5*h* MSXRosenbrockSolver.K1[j] + 0.5*h* MSXRosenbrockSolver.K2[j];
-        }
-
-    // --- Error estimation
-
-        hold = h;
-        err = 0.0;
-        if ( adjust )
-        {
-            for (j=1; j<=n; j++)
-            {
-                ytol = atol[j] + rtol[j]*fabs(MSXRosenbrockSolver.Ynew[j]);
-	            ej = fabs(MSXRosenbrockSolver.Ynew[j] - y[j] - h* MSXRosenbrockSolver.K1[j])/ytol;
-                err = err + ej*ej; 
-            }
-            err = sqrt(err/n);
-            err = fmax(UROUND, err);
-
-        // --- Choose the step size
-
-            factor = 0.9 / sqrt(err);
-            if (isReject) facmax = 1.0;
-            else          facmax = 10.0;
-            factor = fmin(factor, facmax);
-            factor = fmax(factor, 1.0e-1);
-            h = factor*h;
-            h = fmin(hmax, h);
-        }
-
-    // --- Reject/accept the step
-
-        if ( err > 1.0 )
-        {
-            isReject = 1;
-            nreject++;
-            h = 0.5*h;
-        }
-        else
-        {
-            isReject = 0;
-            for (j=1; j<=n; j++)
-            {
-                y[j] = MSXRosenbrockSolver.Ynew[j];
-                if ( y[j] <= UROUND ) y[j] = 0.0;
-            }
-            if ( adjust ) *htry = h;
-            t = tplus;    
-            naccept++;
-        }
-        
-// --- End of the time loop 
-
-    }
-    return nfcn;
-}

epyt_flow/EPANET/EPANET-MSX/Src/ros2.h

@@ -1,35 +0,0 @@
-/************************************************************************
-**  MODULE:        ROS2.H
-**  PROJECT:       EPANET-MSX
-**  DESCRIPTION:   Header file for the stiff ODE solver ROS2.C.
-**  AUTHOR:        L. Rossman, US EPA - NRMRL
-**  VERSION:       2.0.00                                               
-**  LAST UPDATE:   04/14/2021
-***********************************************************************/
-
-#ifndef ROS2_H
-#define ROS2_H
-
-typedef struct {
-
-    double** A;                     // Jacobian matrix
-    double* K1;                    // Intermediate solutions
-    double* K2;
-    double* Ynew;                  // Updated function values
-    int*    Jindx;                 // Jacobian column indexes
-    int     Nmax;                  // Max. number of equations
-    int     Adjust;                // use adjustable step size
-}MSXRosenbrock;
-
-// Opens the ODE solver system
-int  ros2_open(int n, int adjust);
-
-// Closes the ODE solver system
-void ros2_close(void);
-
-// Applies the solver to integrate a specific system of ODEs
-int  ros2_integrate(double y[], int n, double t, double tnext,
-                    double* htry, double atol[], double rtol[],
-                    void (*func)(double, double*, int, double*));
-
-#endif