// // CDDL HEADER START // // The contents of this file are subject to the terms of the Common Development // and Distribution License Version 1.0 (the "License"). // // You can obtain a copy of the license at // http://www.opensource.org/licenses/CDDL-1.0. See the License for the // specific language governing permissions and limitations under the License. // // When distributing Covered Code, include this CDDL HEADER in each file and // include the License file in a prominent location with the name LICENSE.CDDL. // If applicable, add the following below this CDDL HEADER, with the fields // enclosed by brackets "[]" replaced with your own identifying information: // // Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. // // CDDL HEADER END // // // Copyright (c) 2014, Regents of the University of Minnesota. // All rights reserved. // // Contributors: // Ryan S. Elliott // Mingjian Wen // #include "EAM_QuinticHermiteSpline.hpp" #include "EAM_Implementation.hpp" //************************************************************************************ void EAM_Implementation::SplineInterpolate(double const * const dat, double const delta, int const n, double * const coe) { // setup convenient pointers (spline) into the coefficients (coe) array double ** const spline = new double *[n]; // deleted at end of function for (int i = 0; i < n; ++i) { spline[i] = &coe[i * NUMBER_SPLINE_COEFF]; } for (int m = 0; m < n; ++m) { spline[m][F_CONSTANT] = dat[m]; } // linear term and quadratic term are estimated using 7 points finite // difference // linear coeff spline[0][F_LINEAR] = (-11 * dat[0] + 18 * dat[1] - 9 * dat[2] + 2 * dat[3]) / 6; spline[1][F_LINEAR] = (-3 * dat[0] - 10 * dat[1] + 18 * dat[2] - 6 * dat[3] + dat[4]) / 12; spline[2][F_LINEAR] = dat[0] / 20 - dat[1] / 2 - dat[2] / 3 + dat[3] - dat[4] / 4 + dat[5] / 30; spline[n - 3][F_LINEAR] = -dat[n - 6] / 30 + dat[n - 5] / 4 - dat[n - 4] + dat[n - 3] / 3 + dat[n - 2] / 2 - dat[n - 1] / 20; spline[n - 2][F_LINEAR] = (-dat[n - 5] + 6 * dat[n - 4] - 18 * dat[n - 3] + 10 * dat[n - 2] + 3 * dat[n - 1]) / 12; spline[n - 1][F_LINEAR] = (-2 * dat[n - 4] + 9 * dat[n - 3] - 18 * dat[n - 2] + 11 * dat[n - 1]) / 6; for (int m = 3; m < n - 3; ++m) { spline[m][F_LINEAR] = -dat[m - 3] / 60 + 3 * dat[m - 2] / 20 - 3 * dat[m - 1] / 4 + 3 * dat[m + 1] / 4 - 3 * dat[m + 2] / 20 + dat[m + 3] / 60; } // quadratic coeff spline[0][F_QUADRATIC] = (2 * dat[0] - 5 * dat[1] + 4 * dat[2] - dat[3]) / 2; spline[1][F_QUADRATIC] = ((11 * dat[0] - 20 * dat[1] + 6 * dat[2] + 4 * dat[3] - dat[4]) / 12) / 2; spline[2][F_QUADRATIC] = (-dat[0] / 12 + 4 * dat[1] / 3 - 5 * dat[2] / 2 + 4 * dat[3] / 3 - dat[4] / 12) / 2; spline[n - 3][F_QUADRATIC] = (-dat[n - 5] / 12 + 4 * dat[n - 4] / 3 - 5 * dat[n - 3] / 2 + 4 * dat[n - 2] / 3 - dat[n - 1] / 12) / 2; spline[n - 2][F_QUADRATIC] = ((-dat[n - 5] + 4 * dat[n - 4] + 6 * dat[n - 3] - 20 * dat[n - 2] + 11 * dat[n - 1]) / 12) / 2; spline[n - 1][F_QUADRATIC] = (-dat[n - 4] + 4 * dat[n - 3] - 5 * dat[n - 2] + 2 * dat[n - 1]) / 2; for (int m = 3; m < n - 3; ++m) { spline[m][F_QUADRATIC] = (dat[m - 3] / 90 - 3 * dat[m - 2] / 20 + 3 * dat[m - 1] / 2 - 49 * dat[m] / 18 + 3 * dat[m + 1] / 2 - 3 * dat[m + 2] / 20 + dat[m + 3] / 90) / 2; } // cubic, quartic, and quintic coeff for (int m = 0; m < n - 1; ++m) { spline[m][F_CUBIC] = 10 * spline[m + 1][F_CONSTANT] - 4 * spline[m + 1][F_LINEAR] + spline[m + 1][F_QUADRATIC] - 10 * spline[m][F_CONSTANT] - 6 * spline[m][F_LINEAR] - 3 * spline[m][F_QUADRATIC]; spline[m][F_QUARTIC] = -15 * spline[m + 1][F_CONSTANT] + 7 * spline[m + 1][F_LINEAR] - 2 * spline[m + 1][F_QUADRATIC] + 15 * spline[m][F_CONSTANT] + 8 * spline[m][F_LINEAR] + 3 * spline[m][F_QUADRATIC]; spline[m][F_QUINTIC] = 6 * spline[m + 1][F_CONSTANT] - 3 * spline[m + 1][F_LINEAR] + spline[m + 1][F_QUADRATIC] - 6 * spline[m][F_CONSTANT] - 3 * spline[m][F_LINEAR] - spline[m][F_QUADRATIC]; } spline[n - 1][F_CUBIC] = 0; spline[n - 1][F_QUARTIC] = 0; spline[n - 1][F_QUINTIC] = 0; // derivatives for (int m = 0; m < n - 1; ++m) { spline[m][DF_CONSTANT] = spline[m][F_LINEAR] / delta; spline[m][DF_LINEAR] = 2.0 * spline[m][F_QUADRATIC] / delta; spline[m][DF_QUADRATIC] = 3.0 * spline[m][F_CUBIC] / delta; spline[m][DF_CUBIC] = 4.0 * spline[m][F_QUARTIC] / delta; spline[m][DF_QUARTIC] = 5.0 * spline[m][F_QUINTIC] / delta; } for (int m = 0; m < n - 1; ++m) { spline[m][D2F_CONSTANT] = spline[m][DF_LINEAR] / delta; spline[m][D2F_LINEAR] = 2.0 * spline[m][DF_QUADRATIC] / delta; spline[m][D2F_QUADRATIC] = 3.0 * spline[m][DF_CUBIC] / delta; spline[m][D2F_CUBIC] = 4.0 * spline[m][DF_QUARTIC] / delta; } delete[] spline; }