[TEST]UPSTREAM: Pick some source changes from 48080d0a97
* Sync new folder structure
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106
AMSS_NCKU_source/Surface_Integral/gaussj.C
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106
AMSS_NCKU_source/Surface_Integral/gaussj.C
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#ifdef newc
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#include <iostream>
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#include <iomanip>
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#include <fstream>
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#include <cstdlib>
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#include <cstring>
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#include <cmath>
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using namespace std;
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#else
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#include <iostream.h>
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#include <iomanip.h>
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#include <fstream.h>
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#include <stdlib.h>
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#include <stdio.h>
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#include <string.h>
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#include <math.h>
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#endif
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// Intel oneMKL LAPACK interface
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#include <mkl_lapacke.h>
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/* Linear equation solution using Intel oneMKL LAPACK.
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a[0..n-1][0..n-1] is the input matrix. b[0..n-1] is input
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containing the right-hand side vectors. On output a is
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replaced by its matrix inverse, and b is replaced by the
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corresponding set of solution vectors.
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Mathematical equivalence:
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Solves: A * x = b => x = A^(-1) * b
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Original Gauss-Jordan and LAPACK dgesv/dgetri produce identical results
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within numerical precision. */
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int gaussj(double *a, double *b, int n)
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{
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// Allocate pivot array and workspace
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lapack_int *ipiv = new lapack_int[n];
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lapack_int info;
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// Make a copy of matrix a for solving (dgesv modifies it to LU form)
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double *a_copy = new double[n * n];
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for (int i = 0; i < n * n; i++) {
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a_copy[i] = a[i];
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}
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// Step 1: Solve linear system A*x = b using LU decomposition
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// LAPACKE_dgesv uses column-major by default, but we use row-major
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info = LAPACKE_dgesv(LAPACK_ROW_MAJOR, n, 1, a_copy, n, ipiv, b, 1);
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if (info != 0) {
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cout << "gaussj: Singular Matrix (dgesv info=" << info << ")" << endl;
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delete[] ipiv;
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delete[] a_copy;
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return 1;
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}
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// Step 2: Compute matrix inverse A^(-1) using LU factorization
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// First do LU factorization of original matrix a
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info = LAPACKE_dgetrf(LAPACK_ROW_MAJOR, n, n, a, n, ipiv);
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if (info != 0) {
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cout << "gaussj: Singular Matrix (dgetrf info=" << info << ")" << endl;
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delete[] ipiv;
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delete[] a_copy;
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return 1;
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}
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// Then compute inverse from LU factorization
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info = LAPACKE_dgetri(LAPACK_ROW_MAJOR, n, a, n, ipiv);
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if (info != 0) {
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cout << "gaussj: Singular Matrix (dgetri info=" << info << ")" << endl;
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delete[] ipiv;
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delete[] a_copy;
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return 1;
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}
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delete[] ipiv;
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delete[] a_copy;
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return 0;
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}
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// for check usage
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/*
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int main()
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{
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double *A,*b;
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A=new double[9];
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b=new double[3];
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A[0]=0.5; A[1]=1.0/3; A[2]=1;
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A[3]=1; A[4]=5.0/3; A[5]=3;
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A[6]=2; A[7]=4.0/3; A[8]=5;
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b[0]=1; b[1]=3; b[2]=2;
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cout<<"initial data:"<<endl;
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for(int i=0;i<3;i++) cout<<A[i*3]<<" "<<A[i*3+1]<<" "<<A[i*3+2]<<" "<<b[i]<<endl;
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gaussj(A, b, 3);
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cout<<"final data:"<<endl;
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for(int i=0;i<3;i++) cout<<A[i*3]<<" "<<A[i*3+1]<<" "<<A[i*3+2]<<" "<<b[i]<<endl;
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delete[] A; delete[] b;
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}
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*/
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4515
AMSS_NCKU_source/Surface_Integral/surface_integral.C
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4515
AMSS_NCKU_source/Surface_Integral/surface_integral.C
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File diff suppressed because it is too large
Load Diff
144
AMSS_NCKU_source/Surface_Integral/surface_integral.h
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144
AMSS_NCKU_source/Surface_Integral/surface_integral.h
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//$Id: surface_integral.h,v 1.9 2013/08/20 11:49:05 zjcao Exp $
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#ifndef SURFACE_INTEGRAL_H
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#define SURFACE_INTEGRAL_H
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#ifdef newc
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#include <iostream>
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#include <iomanip>
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#include <fstream>
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#include <strstream>
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#include <cmath>
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using namespace std;
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#else
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#include <iostream.h>
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#include <iomanip.h>
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#include <fstream.h>
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#include <strstream>
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#include <math.h>
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#endif
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#include "cgh.h"
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#include "ShellPatch.h"
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#include "NullShellPatch.h"
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#include "NullShellPatch2.h"
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#include "var.h"
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#include "monitor.h"
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class surface_integral
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{
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private:
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int Symmetry, factor;
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int N_theta, N_phi; // Number of points in Theta & Phi directions
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double dphi, dcostheta;
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double *arcostheta, *wtcostheta;
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int n_tot; // size of arrays
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double *nx_g, *ny_g, *nz_g; // global list of unit normals
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int myrank, cpusize;
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int wave_cache_spinw, wave_cache_maxl, wave_cache_modes;
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double *wave_theta_pos, *wave_theta_neg;
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double *wave_phi_cos, *wave_phi_sin;
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void clear_wave_cache();
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void build_wave_cache(int spinw, int maxl);
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public:
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surface_integral(int iSymmetry);
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~surface_integral();
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void surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *Ipsi4,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor); // NN is the length of RP and IP
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// this routine can only deal with the symmetry of Psi4
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void surf_Wave(double rex, int lev, ShellPatch *GH, var *Rpsi4, var *Ipsi4,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor);
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void surf_Wave(double rex, int lev, NullShellPatch *GH, var *Rpsi4, var *Ipsi4,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor);
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void surf_Wave(double rex, int lev, NullShellPatch2 *GH, var *Rpsi4, var *Ipsi4,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor);
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void surf_Wave(double rex, int lev, ShellPatch *GH,
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var *Ex, var *Ey, var *Ez, var *Bx, var *By, var *Bz,
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var *chi, var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor); // NN is the length of RP and IP
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void surf_Wave(double rex, int lev, cgh *GH,
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var *Ex, var *Ey, var *Ez, var *Bx, var *By, var *Bz,
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var *chi, var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor,
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void (*funcs)(double &, double &, double &,
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double &, double &, double &, double &, double &, double &, double &,
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double &, double &, double &, double &, double &, double &,
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double &, double &)); // NN is the length of RP and IP
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void surf_Wave(double rex, int lev, ShellPatch *GH,
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var *Ex, var *Ey, var *Ez, var *Bx, var *By, var *Bz,
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var *chi, var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor,
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void (*funcs)(double &, double &, double &,
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double &, double &, double &, double &, double &, double &, double &,
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double &, double &, double &, double &, double &, double &,
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double &, double &)); // NN is the length of RP and IP
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void surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *Gmx, var *Gmy, var *Gmz,
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var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
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double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
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void surf_MassPAng(double rex, int lev, ShellPatch *GH, var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *Gmx, var *Gmy, var *Gmz,
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var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
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double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
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void surf_WaveMassPAng(double rex, int lev, cgh *GH,
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var *Rpsi4, var *Ipsi4, int spinw, int maxl, int NN, double *RP, double *IP,
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var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *Gmx, var *Gmy, var *Gmz,
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var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
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double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
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void surf_WaveMassPAng(double rex, int lev, ShellPatch *GH,
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var *Rpsi4, var *Ipsi4, int spinw, int maxl, int NN, double *RP, double *IP,
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var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *Gmx, var *Gmy, var *Gmz,
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var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
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double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
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void surf_Wave(double rex, cgh *GH, ShellPatch *SH,
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var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *chix, var *chiy, var *chiz,
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var *trKx, var *trKy, var *trKz,
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var *Axxx, var *Axxy, var *Axxz,
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var *Axyx, var *Axyy, var *Axyz,
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var *Axzx, var *Axzy, var *Axzz,
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var *Ayyx, var *Ayyy, var *Ayyz,
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var *Ayzx, var *Ayzy, var *Ayzz,
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var *Azzx, var *Azzy, var *Azzz,
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var *Gamxxx, var *Gamxxy, var *Gamxxz, var *Gamxyy, var *Gamxyz, var *Gamxzz,
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var *Gamyxx, var *Gamyxy, var *Gamyxz, var *Gamyyy, var *Gamyyz, var *Gamyzz,
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var *Gamzxx, var *Gamzxy, var *Gamzxz, var *Gamzyy, var *Gamzyz, var *Gamzzz,
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var *Rxx, var *Rxy, var *Rxz, var *Ryy, var *Ryz, var *Rzz,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor);
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bool SR_Interp_Points(MyList<var> *VarList, cgh *GH, ShellPatch *SH,
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int NN, double **XX, double *Shellf);
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void surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var *trK,
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var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
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var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
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var *Gmx, var *Gmy, var *Gmz,
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var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs, // temparay memory for mass^i
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double *Rout, monitor *Monitor, MPI_Comm Comm_here, bool refresh_mass_fields = true);
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void surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *Ipsi4,
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int spinw, int maxl, int NN, double *RP, double *IP,
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monitor *Monitor, MPI_Comm Comm_here);
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};
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#endif /* SURFACE_INTEGRAL_H */
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