Fixed another problem (which I previously overlooked) in the implementation of EHB: PRB 71 014521 (2005)
* In the limit of thick films the result now is consistent with EHB: PRL 78 2208 (1997) * B_z at the vortex-core has the correct values as a function of depth * The calculation needs time... * Any review is welcome
This commit is contained in:
Bastian M. Wojek
parent
7357caa8b8
commit
c3316e9676
@ -673,13 +673,14 @@ TBulkTriVortexNGLFieldCalc::TBulkTriVortexNGLFieldCalc(const string& wisdom, con
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fOmegaMatrix = new double[stepsSq]; // |psi|^2 (x,y)
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fOmegaDiffMatrix = new fftw_complex[stepsSq]; // grad omega
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fFFTin = new fftw_complex[(fSteps/2 + 1)*fSteps]; // aK matrix
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fFFTin = new fftw_complex[stepsSq]; // aK matrix
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fBkMatrix = new fftw_complex[stepsSq]; // bK matrix
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fRealSpaceMatrix = new fftw_complex[stepsSq];
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fQMatrix = new fftw_complex[stepsSq];
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fQMatrixA = new fftw_complex[stepsSq];
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fCheckAkConvergence = new double[fSteps/2 + 1];
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fCheckAkConvergence = new double[fSteps];
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fCheckBkConvergence = new double[fSteps];
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// Load wisdom from file if it exists and should be used
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@ -704,16 +705,16 @@ TBulkTriVortexNGLFieldCalc::TBulkTriVortexNGLFieldCalc(const string& wisdom, con
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if (fUseWisdom) {
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// use the first plan from the base class here - it will be destroyed by the base class destructor
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fFFTplan = fftw_plan_dft_c2r_2d(fSteps, fSteps, fFFTin, fOmegaMatrix, FFTW_EXHAUSTIVE);
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fFFTplan = fftw_plan_dft_2d(fSteps, fSteps, fFFTin, fRealSpaceMatrix, FFTW_BACKWARD, FFTW_EXHAUSTIVE);
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fFFTplanBkToBandQ = fftw_plan_dft_2d(fSteps, fSteps, fBkMatrix, fBkMatrix, FFTW_BACKWARD, FFTW_EXHAUSTIVE);
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fFFTplanOmegaToAk = fftw_plan_dft_r2c_2d(fSteps, fSteps, fOmegaMatrix, fFFTin, FFTW_EXHAUSTIVE);
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fFFTplanOmegaToAk = fftw_plan_dft_2d(fSteps, fSteps, fRealSpaceMatrix, fFFTin, FFTW_FORWARD, FFTW_EXHAUSTIVE);
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fFFTplanOmegaToBk = fftw_plan_dft_2d(fSteps, fSteps, fBkMatrix, fBkMatrix, FFTW_FORWARD, FFTW_EXHAUSTIVE);
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}
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else {
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// use the first plan from the base class here - it will be destroyed by the base class destructor
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fFFTplan = fftw_plan_dft_c2r_2d(fSteps, fSteps, fFFTin, fOmegaMatrix, FFTW_ESTIMATE);
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fFFTplan = fftw_plan_dft_2d(fSteps, fSteps, fFFTin, fRealSpaceMatrix, FFTW_BACKWARD, FFTW_ESTIMATE);
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fFFTplanBkToBandQ = fftw_plan_dft_2d(fSteps, fSteps, fBkMatrix, fBkMatrix, FFTW_BACKWARD, FFTW_ESTIMATE);
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fFFTplanOmegaToAk = fftw_plan_dft_r2c_2d(fSteps, fSteps, fOmegaMatrix, fFFTin, FFTW_ESTIMATE);
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fFFTplanOmegaToAk = fftw_plan_dft_2d(fSteps, fSteps, fRealSpaceMatrix, fFFTin, FFTW_FORWARD, FFTW_ESTIMATE);
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fFFTplanOmegaToBk = fftw_plan_dft_2d(fSteps, fSteps, fBkMatrix, fBkMatrix, FFTW_FORWARD, FFTW_ESTIMATE);
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}
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}
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@ -730,6 +731,7 @@ TBulkTriVortexNGLFieldCalc::~TBulkTriVortexNGLFieldCalc() {
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delete[] fOmegaDiffMatrix; fOmegaDiffMatrix = 0;
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delete[] fBkMatrix; fBkMatrix = 0;
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delete[] fRealSpaceMatrix; fRealSpaceMatrix = 0;
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delete[] fQMatrix; fQMatrix = 0;
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delete[] fQMatrixA; fQMatrixA = 0;
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@ -745,6 +747,117 @@ void TBulkTriVortexNGLFieldCalc::CalculateGradient() const {
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const int NFFT_2(fSteps/2);
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const int NFFTsq(fSteps*fSteps);
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int i, j, l, index;
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// Take the derivative of the Fourier sum of omega
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// First save a copy of the real aK-matrix in the imaginary part of the bK-matrix
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#pragma omp parallel for default(shared) private(l) schedule(dynamic)
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for (l = 0; l < NFFTsq; ++l) {
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fBkMatrix[l][1] = fFFTin[l][0];
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}
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// dw/dx = sum_K aK Kx sin(Kx*x + Ky*y)
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// First multiply the aK with Kx, then call FFTW
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const double coeffKx(TWOPI/(sqrt3*fLatticeConstant));
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// even rows
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for (i = 0; i < NFFT; i += 2) {
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// j = 0
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fFFTin[NFFT*i][0] = 0.0;
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// j != 0
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for (j = 2; j < NFFT_2; j += 2) {
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fFFTin[(j + NFFT*i)][0] *= coeffKx*static_cast<double>(j);
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}
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for (j = NFFT_2; j < NFFT; j += 2) {
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fFFTin[(j + NFFT*i)][0] *= coeffKx*static_cast<double>(j - NFFT);
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}
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}
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// odd rows
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for (i = 1; i < NFFT; i += 2) {
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for (j = 0; j < NFFT_2; j += 2) {
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fFFTin[(j + 1 + NFFT*i)][0] *= coeffKx*static_cast<double>(j + 1);
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}
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for (j = NFFT_2; j < NFFT; j += 2) {
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fFFTin[(j + 1 + NFFT*i)][0] *= coeffKx*static_cast<double>(j + 1 - NFFT);
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}
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}
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fftw_execute(fFFTplan);
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// Copy the results to the gradient matrix and restore the original aK-matrix
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#pragma omp parallel for default(shared) private(l) schedule(dynamic)
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for (l = 0; l < NFFTsq; ++l) {
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fOmegaDiffMatrix[l][0] = fRealSpaceMatrix[l][1];
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fFFTin[l][0] = fBkMatrix[l][1];
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}
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// dw/dy = sum_K aK Ky sin(Kx*x + Ky*y)
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// First multiply the aK with Ky, then call FFTW
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const double coeffKy(TWOPI/fLatticeConstant);
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double ky;
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// even rows
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// i = 0
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for (j = 0; j < NFFT; j += 2) {
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fFFTin[j][0] = 0.0;
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}
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// i != 0
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for (i = 2; i < NFFT_2; i += 2) {
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ky = coeffKy*static_cast<double>(i);
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for (j = 0; j < NFFT; j += 2) {
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fFFTin[(j + NFFT*i)][0] *= ky;
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}
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}
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for (i = NFFT_2; i < NFFT; i += 2) {
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ky = coeffKy*static_cast<double>(i - NFFT);
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for (j = 0; j < NFFT; j += 2) {
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fFFTin[(j + NFFT*i)][0] *= ky;
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}
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}
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// odd rows
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for (i = 1; i < NFFT_2; i += 2) {
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ky = coeffKy*static_cast<double>(i);
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for (j = 0; j < NFFT; j += 2) {
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fFFTin[(j + 1 + NFFT*i)][0] *= ky;
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}
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}
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for (i = NFFT_2 + 1; i < NFFT; i += 2) {
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ky = coeffKy*static_cast<double>(i - NFFT);
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for (j = 0; j < NFFT; j += 2) {
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fFFTin[(j + 1 + NFFT*i)][0] *= ky;
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}
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}
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fftw_execute(fFFTplan);
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// Copy the results to the gradient matrix and restore the original aK-matrix
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#pragma omp parallel for default(shared) private(l) schedule(dynamic)
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for (l = 0; l < NFFTsq; ++l) {
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fOmegaDiffMatrix[l][1] = fRealSpaceMatrix[l][1];
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fFFTin[l][0] = fBkMatrix[l][1];
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fBkMatrix[l][1] = 0.0;
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}
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// Ensure that omega at the vortex-core positions is zero
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fOmegaMatrix[0] = 0.0;
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fOmegaMatrix[(NFFT+1)*NFFT_2] = 0.0;
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// Ensure that the derivatives at the vortex-core positions are zero
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fOmegaDiffMatrix[0][0] = 0.0;
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fOmegaDiffMatrix[(NFFT+1)*NFFT_2][0] = 0.0;
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fOmegaDiffMatrix[0][1] = 0.0;
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fOmegaDiffMatrix[(NFFT+1)*NFFT_2][1] = 0.0;
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/*
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const int NFFT(fSteps);
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const int NFFT_2(fSteps/2);
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const int NFFTsq(fSteps*fSteps);
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const double denomY(2.0*fLatticeConstant/static_cast<double>(NFFT));
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const double denomX(denomY*sqrt3);
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@ -792,7 +905,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGradient() const {
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fOmegaDiffMatrix[(NFFT+1)*NFFT_2][0] = 0.0;
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fOmegaDiffMatrix[0][1] = 0.0;
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fOmegaDiffMatrix[(NFFT+1)*NFFT_2][1] = 0.0;
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*/
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return;
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}
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@ -808,9 +921,9 @@ void TBulkTriVortexNGLFieldCalc::FillAbrikosovCoefficients() const {
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} else {
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sign = -1.0;
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}
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>(l*l);
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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for (k = 0; k < NFFT_2; k += 2) {
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sign = -sign;
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Gsq = static_cast<double>(k*k) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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@ -818,11 +931,14 @@ void TBulkTriVortexNGLFieldCalc::FillAbrikosovCoefficients() const {
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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sign = -sign;
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Gsq = static_cast<double>(k*k) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT; k += 2) {
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sign = -sign;
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Gsq = static_cast<double>((k-NFFT)*(k-NFFT)) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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}
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for (l = NFFT_2; l < NFFT; l += 2) {
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@ -831,9 +947,9 @@ void TBulkTriVortexNGLFieldCalc::FillAbrikosovCoefficients() const {
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} else {
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sign = -1.0;
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}
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>((l-NFFT)*(l-NFFT));
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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for (k = 0; k < NFFT_2; k += 2) {
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sign = -sign;
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Gsq = static_cast<double>(k*k) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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@ -841,31 +957,38 @@ void TBulkTriVortexNGLFieldCalc::FillAbrikosovCoefficients() const {
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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sign = -sign;
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Gsq = static_cast<double>(k*k) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT_2; k += 2) {
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sign = -sign;
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Gsq = static_cast<double>((k-NFFT)*(k-NFFT)) + ll;
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fFFTin[lNFFT_2 + k][0] = sign*exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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}
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// intermediate rows
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for (l = 1; l < NFFT_2; l += 2) {
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>(l*l);
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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for (k = 0; k < NFFT_2; k += 2) {
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Gsq = static_cast<double>((k + 1)*(k + 1)) + ll;
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fFFTin[lNFFT_2 + k][0] = 0.0;
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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fFFTin[lNFFT_2 + k][0] = 0.0;
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT; k += 2) {
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Gsq = static_cast<double>((k + 1 - NFFT)*(k + 1 - NFFT)) + ll;
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fFFTin[lNFFT_2 + k][0] = 0.0;
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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}
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for (l = NFFT_2 + 1; l < NFFT; l += 2) {
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>((l-NFFT)*(l-NFFT));
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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Gsq = static_cast<double>((k+1)*(k+1)) + ll;
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@ -874,9 +997,13 @@ void TBulkTriVortexNGLFieldCalc::FillAbrikosovCoefficients() const {
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fFFTin[lNFFT_2 + k + 1][0] = exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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fFFTin[lNFFT_2 + k][0] = 0.0;
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT; k += 2) {
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Gsq = static_cast<double>((k+1 - NFFT)*(k+1 - NFFT)) + ll;
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fFFTin[lNFFT_2 + k][0] = 0.0;
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = exp(-pi_4sqrt3*Gsq);
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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}
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fFFTin[0][0] = 0.0;
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@ -896,23 +1023,26 @@ void TBulkTriVortexNGLFieldCalc::ManipulateFourierCoefficientsA() const {
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double Gsq, ll;
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for (l = 0; l < NFFT_2; l += 2) {
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>(l*l);
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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for (k = 0; k < NFFT_2; k += 2) {
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Gsq = coeff1*(static_cast<double>(k*k) + ll);
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fFFTin[lNFFT_2 + k][0] *= coeff2/(Gsq+coeff3);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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Gsq = coeff1*(static_cast<double>(k*k) + ll);
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fFFTin[lNFFT_2 + k][0] *= coeff2/(Gsq+coeff3);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT; k += 2) {
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Gsq = coeff1*(static_cast<double>((k - NFFT)*(k - NFFT)) + ll);
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fFFTin[lNFFT_2 + k][0] *= coeff2/(Gsq+coeff3);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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}
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for (l = NFFT_2; l < NFFT; l += 2) {
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lNFFT_2 = l*(NFFT_2 + 1);
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lNFFT_2 = l*(NFFT);
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ll = 3.0*static_cast<double>((l-NFFT)*(l-NFFT));
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for (k = 0; k < NFFT_2 - 1; k += 2) {
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Gsq = coeff1*(static_cast<double>(k*k) + ll);
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@ -921,42 +1051,53 @@ void TBulkTriVortexNGLFieldCalc::ManipulateFourierCoefficientsA() const {
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fFFTin[lNFFT_2 + k + 1][0] = 0.0;
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fFFTin[lNFFT_2 + k + 1][1] = 0.0;
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}
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k = NFFT_2;
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Gsq = coeff1*(static_cast<double>(k*k) + ll);
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fFFTin[lNFFT_2 + k][0] *= coeff2/(Gsq+coeff3);
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fFFTin[lNFFT_2 + k][1] = 0.0;
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for (k = NFFT_2; k < NFFT; k += 2) {
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Gsq = coeff1*(static_cast<double>((k-NFFT)*(k-NFFT)) + ll);
|
||||
fFFTin[lNFFT_2 + k][0] *= coeff2/(Gsq+coeff3);
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][1] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
//intermediate rows
|
||||
|
||||
for (l = 1; l < NFFT_2; l += 2) {
|
||||
lNFFT_2 = l*(NFFT_2 + 1);
|
||||
lNFFT_2 = l*(NFFT);
|
||||
ll = 3.0*static_cast<double>(l*l);
|
||||
for (k = 0; k < NFFT_2 - 1; k += 2) {
|
||||
for (k = 0; k < NFFT_2; k += 2) {
|
||||
Gsq = coeff1*(static_cast<double>((k+1)*(k+1)) + ll);
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][0] *= coeff2/(Gsq+coeff3);
|
||||
fFFTin[lNFFT_2 + k + 1][1] = 0.0;
|
||||
}
|
||||
k = NFFT_2;
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
for (k = NFFT_2; k < NFFT; k += 2) {
|
||||
Gsq = coeff1*(static_cast<double>((k+1-NFFT)*(k+1-NFFT)) + ll);
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][0] *= coeff2/(Gsq+coeff3);
|
||||
fFFTin[lNFFT_2 + k + 1][1] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
for (l = NFFT_2 + 1; l < NFFT; l += 2) {
|
||||
lNFFT_2 = l*(NFFT_2 + 1);
|
||||
lNFFT_2 = l*(NFFT);
|
||||
ll = 3.0*static_cast<double>((l-NFFT)*(l-NFFT));
|
||||
for (k = 0; k < NFFT_2 - 1; k += 2) {
|
||||
for (k = 0; k < NFFT_2; k += 2) {
|
||||
Gsq = coeff1*(static_cast<double>((k+1)*(k+1)) + ll);
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][0] *= coeff2/(Gsq+coeff3);
|
||||
fFFTin[lNFFT_2 + k + 1][1] = 0.0;
|
||||
}
|
||||
k = NFFT_2;
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
for (k = NFFT_2; k < NFFT; k += 2) {
|
||||
Gsq = coeff1*(static_cast<double>((k+1-NFFT)*(k+1-NFFT)) + ll);
|
||||
fFFTin[lNFFT_2 + k][0] = 0.0;
|
||||
fFFTin[lNFFT_2 + k][1] = 0.0;
|
||||
fFFTin[lNFFT_2 + k + 1][0] *= coeff2/(Gsq+coeff3);
|
||||
fFFTin[lNFFT_2 + k + 1][1] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
fFFTin[0][0] = 0.0;
|
||||
@ -1192,7 +1333,8 @@ void TBulkTriVortexNGLFieldCalc::ManipulateFourierCoefficientsForQy() const {
|
||||
void TBulkTriVortexNGLFieldCalc::CalculateSumAk() const {
|
||||
const int NFFT_2(fSteps/2);
|
||||
const int NFFTsq_2((fSteps/2 + 1)*fSteps);
|
||||
|
||||
const int NFFTsq(fSteps*fSteps);
|
||||
/*
|
||||
double SumFirstColumn(0.0);
|
||||
|
||||
fSumAk = 0.0;
|
||||
@ -1203,6 +1345,11 @@ void TBulkTriVortexNGLFieldCalc::CalculateSumAk() const {
|
||||
SumFirstColumn += fFFTin[l][0];
|
||||
}
|
||||
fSumAk = 2.0*fSumAk - SumFirstColumn;
|
||||
*/
|
||||
fSumAk = 0.0;
|
||||
for (int l(0); l < NFFTsq; ++l) {
|
||||
fSumAk += fFFTin[l][0];
|
||||
}
|
||||
|
||||
return;
|
||||
}
|
||||
@ -1248,7 +1395,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
FillAbrikosovCoefficients();
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFT_2 + 1; l++) {
|
||||
for (l = 0; l < NFFT; l++) {
|
||||
fCheckAkConvergence[l] = fFFTin[l][0];
|
||||
}
|
||||
|
||||
@ -1262,7 +1409,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
fOmegaMatrix[l] = fSumAk - fOmegaMatrix[l];
|
||||
fOmegaMatrix[l] = fSumAk - fRealSpaceMatrix[l][0];
|
||||
}
|
||||
|
||||
// Calculate the gradient of omega
|
||||
@ -1286,7 +1433,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
fQMatrix[l][0] = fQMatrixA[l][0];
|
||||
fQMatrix[l][1] = fQMatrixA[l][1];
|
||||
}
|
||||
|
||||
/*
|
||||
fQMatrixA[0][0] = fQMatrixA[NFFT][0];
|
||||
fQMatrixA[(NFFT+1)*NFFT_2][0] = fQMatrixA[0][0];
|
||||
fQMatrix[0][0] = fQMatrixA[0][0];
|
||||
@ -1295,7 +1442,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
fQMatrixA[(NFFT+1)*NFFT_2][1] = fQMatrixA[0][1];
|
||||
fQMatrix[0][1] = fQMatrixA[0][1];
|
||||
fQMatrix[(NFFT+1)*NFFT_2][1] = fQMatrixA[0][1];
|
||||
|
||||
*/
|
||||
// initialize B(x,y) with the mean field
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
@ -1306,6 +1453,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
bool akConverged(false), bkConverged(false), akInitiallyConverged(false), firstBkCalculation(true);
|
||||
double fourKappaSq(4.0*fKappa*fKappa);
|
||||
|
||||
|
||||
while (!akConverged || !bkConverged) {
|
||||
|
||||
// First iteration step for aK
|
||||
@ -1313,17 +1461,18 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
if (fOmegaMatrix[l]) {
|
||||
fOmegaMatrix[l] = fOmegaMatrix[l]*(fOmegaMatrix[l] + fQMatrix[l][0]*fQMatrix[l][0] + fQMatrix[l][1]*fQMatrix[l][1] - 2.0) + \
|
||||
fRealSpaceMatrix[l][0] = fOmegaMatrix[l]*(fOmegaMatrix[l] + fQMatrix[l][0]*fQMatrix[l][0] + fQMatrix[l][1]*fQMatrix[l][1] - 2.0) + \
|
||||
(fOmegaDiffMatrix[l][0]*fOmegaDiffMatrix[l][0] + fOmegaDiffMatrix[l][1]*fOmegaDiffMatrix[l][1])/(fourKappaSq*fOmegaMatrix[l]);
|
||||
} else {
|
||||
fOmegaMatrix[l] = 0.0;
|
||||
fRealSpaceMatrix[l][0] = 0.0;
|
||||
}
|
||||
fRealSpaceMatrix[l][1] = 0.0;
|
||||
}
|
||||
|
||||
// At the two vortex cores g(r) is diverging; since all of this should be a smooth function anyway, I set the value of the next neighbour r
|
||||
// for the two vortex core positions in my matrix
|
||||
fOmegaMatrix[0] = fOmegaMatrix[NFFT];
|
||||
fOmegaMatrix[(NFFT+1)*NFFT_2] = fOmegaMatrix[0];
|
||||
fRealSpaceMatrix[0][0] = fRealSpaceMatrix[NFFT][0];
|
||||
fRealSpaceMatrix[(NFFT+1)*NFFT_2][0] = fRealSpaceMatrix[0][0];
|
||||
|
||||
fftw_execute(fFFTplanOmegaToAk);
|
||||
|
||||
@ -1348,7 +1497,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
fOmegaMatrix[l] = fSumAk - fOmegaMatrix[l];
|
||||
fOmegaMatrix[l] = fSumAk - fRealSpaceMatrix[l][0];
|
||||
}
|
||||
|
||||
CalculateGradient();
|
||||
@ -1382,22 +1531,26 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
akConverged = true;
|
||||
|
||||
for (l = 0; l < NFFT_2 + 1; l++) {
|
||||
if (((fabs(fFFTin[l][0]) > 1.0E-6) && (fabs(fCheckAkConvergence[l] - fFFTin[l][0])/fFFTin[l][0] > 1.0E-6)) || \
|
||||
(fCheckAkConvergence[l]/fFFTin[l][0] < 0.0)) {
|
||||
// cout << "old: " << fCheckAkConvergence[l] << ", new: " << fFFTin[l][0] << endl;
|
||||
akConverged = false;
|
||||
break;
|
||||
for (l = 0; l < NFFT; l++) {
|
||||
if (fFFTin[l][0]){
|
||||
if (((fabs(fFFTin[l][0]) > 1.0E-6) && (fabs(fCheckAkConvergence[l] - fFFTin[l][0])/fFFTin[l][0] > 1.0E-6)) || \
|
||||
(fCheckAkConvergence[l]/fFFTin[l][0] < 0.0)) {
|
||||
//cout << "old: " << fCheckAkConvergence[l] << ", new: " << fFFTin[l][0] << endl;
|
||||
akConverged = false;
|
||||
//cout << "index = " << l << endl;
|
||||
break;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
if (!akConverged) {
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFT_2 + 1; l++) {
|
||||
for (l = 0; l < NFFT; l++) {
|
||||
fCheckAkConvergence[l] = fFFTin[l][0];
|
||||
}
|
||||
} else {
|
||||
akInitiallyConverged = true;
|
||||
//break;
|
||||
}
|
||||
|
||||
// cout << "Ak Convergence: " << akConverged << endl;
|
||||
@ -1406,7 +1559,7 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
CalculateSumAk();
|
||||
|
||||
// cout << "fSumAk = " << fSumAk << endl;
|
||||
// cout << "fSumAk = " << fSumAk << " count = " << count << endl;
|
||||
|
||||
// Do the Fourier transform to get omega(x,y)
|
||||
|
||||
@ -1414,13 +1567,13 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
fOmegaMatrix[l] = fSumAk - fOmegaMatrix[l];
|
||||
fOmegaMatrix[l] = fSumAk - fRealSpaceMatrix[l][0];
|
||||
}
|
||||
|
||||
CalculateGradient();
|
||||
|
||||
if (akInitiallyConverged) { // if the aK iterations converged, go on with the bK calculation
|
||||
|
||||
//cout << "converged, count=" << count << endl;
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
fBkMatrix[l][0] = fOmegaMatrix[l]*fFFTout[l] + fSumAk*(scaledB - fFFTout[l]) + \
|
||||
@ -1451,11 +1604,13 @@ void TBulkTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
bkConverged = true;
|
||||
|
||||
for (l = 0; l < NFFT; l++) {
|
||||
if (((fabs(fBkMatrix[l][0]) > 1.0E-6) && (fabs(fCheckBkConvergence[l] - fBkMatrix[l][0])/fabs(fBkMatrix[l][0]) > 1.0E-6)) || \
|
||||
(fCheckBkConvergence[l]/fBkMatrix[l][0] < 0.0)) {
|
||||
// cout << "old: " << fCheckBkConvergence[l] << ", new: " << fBkMatrix[l][0] << endl;
|
||||
bkConverged = false;
|
||||
break;
|
||||
if (fBkMatrix[l][0]) {
|
||||
if (((fabs(fBkMatrix[l][0]) > 1.0E-6) && (fabs(fCheckBkConvergence[l] - fBkMatrix[l][0])/fabs(fBkMatrix[l][0]) > 1.0E-6)) || \
|
||||
(fCheckBkConvergence[l]/fBkMatrix[l][0] < 0.0)) {
|
||||
// cout << "old: " << fCheckBkConvergence[l] << ", new: " << fBkMatrix[l][0] << endl;
|
||||
bkConverged = false;
|
||||
break;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
@ -5,7 +5,7 @@
|
||||
Author: Bastian M. Wojek
|
||||
e-mail: bastian.wojek@psi.ch
|
||||
|
||||
2010/02/01
|
||||
2010/02/21
|
||||
|
||||
***************************************************************************/
|
||||
|
||||
@ -834,12 +834,18 @@ void TFilmTriVortexNGLFieldCalc::CalculateGradient() const {
|
||||
fBkMatrix[l][1] = 0.0;
|
||||
}
|
||||
}
|
||||
/* If the numerics is fine, this part is not needed
|
||||
/* If the numerics is fine, this part is not needed */
|
||||
// Ensure that omega and the gradient at the vortex-core positions are zero
|
||||
for (k = 0; k < NFFTz; ++k) {
|
||||
fOmegaMatrix[k] = 0.0;
|
||||
fOmegaMatrix[k + NFFTz*(NFFT+1)*NFFT_2] = 0.0;
|
||||
|
||||
fOmegaDiffMatrix[0][k] = 0.0;
|
||||
fOmegaDiffMatrix[0][k + NFFTz*(NFFT+1)*NFFT_2] = 0.0;
|
||||
fOmegaDiffMatrix[1][k] = 0.0;
|
||||
fOmegaDiffMatrix[1][k + NFFTz*(NFFT+1)*NFFT_2] = 0.0;
|
||||
fOmegaDiffMatrix[2][k] = 0.0;
|
||||
fOmegaDiffMatrix[2][k + NFFTz*(NFFT+1)*NFFT_2] = 0.0;
|
||||
}/*
|
||||
for (i = 0; i < NFFT; ++i) {
|
||||
// j = 0
|
||||
fOmegaDiffMatrix[0][k + NFFTz*NFFT*i] = 0.0;
|
||||
@ -981,9 +987,10 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsA() const {
|
||||
const int NFFT(fSteps), NFFT_2(fSteps/2), NFFTz(fStepsZ), NFFTz_2(fStepsZ/2), NFFTsqStZ(fSteps*fSteps*fStepsZ), NFFTsq(fSteps*fSteps);
|
||||
|
||||
// Divide EHB's coefficient no2 by two since we are considering "the full 3D reciprocal lattice", not only the half space!
|
||||
const float symCorr(0.5f);
|
||||
// Additionally treat all K the same (no difference between Kperp and K with Kz != 0)
|
||||
const float symCorr(1.0f);
|
||||
const float coeff1(4.0f/3.0f*pow(PI/fLatticeConstant,2.0f));
|
||||
const float coeff3(4.0f*fKappa*fKappa);
|
||||
const float coeff3(2.0f*fKappa*fKappa);
|
||||
const float coeff2(symCorr*coeff3/static_cast<float>(NFFTsqStZ));
|
||||
|
||||
const float coeff4(4.0f*pow(PI/fThickness,2.0f));
|
||||
@ -1156,7 +1163,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsA() const {
|
||||
}
|
||||
fFFTin[k][0] = 0.0f;
|
||||
}
|
||||
/* Comment out the negative Kz - setting them to zero instead to stay closer to EHB's solution */
|
||||
|
||||
for (k = NFFTz_2; k < NFFTz; ++k) {
|
||||
kk = coeff4*static_cast<float>((k - NFFTz)*(k - NFFTz));
|
||||
for (i = 0; i < NFFT_2; i += 2) {
|
||||
@ -1255,7 +1262,8 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsA() const {
|
||||
void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
const int NFFT(fSteps), NFFTsq(fSteps*fSteps), NFFT_2(fSteps/2), NFFTz(fStepsZ), NFFTz_2(fStepsZ/2);
|
||||
|
||||
// Divide EHB's PK and c by two since we are considering "the full 3D reciprocal lattice", not only the half space!
|
||||
// Divide EHB's PK by two since we are considering "the full 3D reciprocal lattice", not only the half space!
|
||||
// Additionally treat all K the same (no difference between Kperp and K with Kz != 0)
|
||||
const float coeffKsq(4.0f/3.0f*pow(PI/fLatticeConstant,2.0f));
|
||||
const float coeffKy(TWOPI/fLatticeConstant);
|
||||
const float coeffKx(coeffKy/sqrt3);
|
||||
@ -1277,7 +1285,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1290,7 +1298,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1307,7 +1315,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1320,7 +1328,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1341,7 +1349,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1354,7 +1362,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -1371,7 +1379,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1384,7 +1392,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(Gsq + 1.0f*fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -1407,7 +1415,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1420,7 +1428,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1437,7 +1445,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1450,7 +1458,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1471,7 +1479,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1484,7 +1492,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -1501,7 +1509,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1514,7 +1522,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -1534,7 +1542,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1547,7 +1555,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1564,7 +1572,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>(j*j) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1577,7 +1585,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
Gsq = coeffKsq*(static_cast<float>((j - NFFT)*(j - NFFT)) + ii);
|
||||
fBkMatrix[index][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index][1] + kx*fPkMatrix[index][1]) + \
|
||||
fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = 0.0;
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
@ -1598,7 +1606,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1611,7 +1619,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -1628,7 +1636,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
|
||||
@ -1641,7 +1649,7 @@ void TFilmTriVortexNGLFieldCalc::ManipulateFourierCoefficientsB() const {
|
||||
fBkMatrix[index][1] = 0.0;
|
||||
fBkMatrix[index2][0] = \
|
||||
(coeffPk*(ky*fQMatrix[index2][1] + kx*fPkMatrix[index2][1]) + \
|
||||
fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0*(Gsq + kk) + fSumSum);
|
||||
1.0f*fSumSum*fBkMatrix[index2][0] - sign*coeffBkS*sqrt(Gsq)*fBkS[j + 1 + NFFT*i][0])/(1.0f*(Gsq + kk) + fSumSum);
|
||||
fBkMatrix[index2][1] = 0.0;
|
||||
}
|
||||
}
|
||||
@ -2541,24 +2549,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
// ... now fill in the Fourier components (Abrikosov) if everything was okay above
|
||||
|
||||
FillAbrikosovCoefficients(scaledB);
|
||||
|
||||
/* try zeros
|
||||
|
||||
for (k = 0; k < NFFTz_2; ++k) {
|
||||
for (i = NFFT_2; i < NFFT; ++i) {
|
||||
for (j = 0; j < NFFT; ++j) {
|
||||
index = k + NFFTz*(j + NFFT*i);
|
||||
fFFTin[index][0] = 0.0;
|
||||
}
|
||||
}
|
||||
for (j = NFFT_2; j < NFFT; ++j) {
|
||||
index = k + NFFTz*j;
|
||||
fFFTin[index][0] = 0.0;
|
||||
}
|
||||
}
|
||||
|
||||
end zeros */
|
||||
FillAbrikosovCoefficients(0.0);
|
||||
|
||||
// save a few coefficients for the convergence check
|
||||
|
||||
@ -2598,7 +2589,6 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
CalculateGradient();
|
||||
|
||||
|
||||
// Calculate Q-Abrikosov
|
||||
|
||||
float denomQAInv;
|
||||
@ -2688,6 +2678,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
|
||||
ManipulateFourierCoefficientsA();
|
||||
|
||||
|
||||
// Second iteration step for aK, first recalculate omega and its gradient
|
||||
|
||||
CalculateSumAk();
|
||||
@ -2706,7 +2697,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
CalculateGradient();
|
||||
|
||||
|
||||
// CalculateGatVortexCore();
|
||||
//CalculateGatVortexCore();
|
||||
|
||||
// Get the spacial averages of the second iteration step for aK
|
||||
|
||||
@ -2723,8 +2714,8 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
fOmegaDiffMatrix[2][index]*fOmegaDiffMatrix[2][index])/(fourKappaSq*fOmegaMatrix[index]);
|
||||
} else {
|
||||
// cout << "! fOmegaMatrix at index " << index << endl;
|
||||
// fSumSum -= fGstorage[k];
|
||||
index = k + fStepsZ*(j + fSteps*(i + 1));
|
||||
// fSumSum -= fGstorage[k];
|
||||
index = k + fStepsZ*(j + fSteps*(i + 1));
|
||||
if (i < NFFT - 1 && fOmegaMatrix[index]) {
|
||||
fSumSum += fOmegaMatrix[index]*(1.0 - (fQMatrix[index][0]*fQMatrix[index][0] + fQMatrix[index][1]*fQMatrix[index][1])) - \
|
||||
(fOmegaDiffMatrix[0][index]*fOmegaDiffMatrix[0][index] + \
|
||||
@ -2833,7 +2824,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
fBkS[index][1] = 0.f;
|
||||
}
|
||||
|
||||
// cout << "fC = " << fC << ", meanAk = " << meanAk << endl;
|
||||
// cout << "fC = " << fC << ", meanAk = " << meanAk << endl;
|
||||
|
||||
fSumSum = fC*meanAk;
|
||||
|
||||
@ -2890,7 +2881,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
}
|
||||
|
||||
if (count == 50) {
|
||||
cout << "3D iterations aborted after 50 steps" << endl;
|
||||
cout << "3D iterations aborted after " << count << " steps" << endl;
|
||||
break;
|
||||
}
|
||||
|
||||
@ -2902,6 +2893,7 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
if (bkConverged && akConverged) {
|
||||
if (!fFind3dSolution) {
|
||||
//cout << "count = " << count << " 2D converged" << endl;
|
||||
//cout << "2D iterations converged after " << count << " steps" << endl;
|
||||
//break;
|
||||
akConverged = false;
|
||||
bkConverged = false;
|
||||
@ -3054,17 +3046,10 @@ void TFilmTriVortexNGLFieldCalc::CalculateGrid() const {
|
||||
fBkMatrix[l][1] = 0.0;
|
||||
}
|
||||
*/
|
||||
/*
|
||||
// If the iterations have converged, rescale the field from Brandt's units to Gauss
|
||||
|
||||
#pragma omp parallel for default(shared) private(l) schedule(dynamic)
|
||||
for (l = 0; l < NFFTsq; l++) {
|
||||
fFFTout[l] *= Hc2_kappa;
|
||||
}
|
||||
|
||||
// Set the flag which shows that the calculation has been done
|
||||
|
||||
fGridExists = true;
|
||||
return;
|
||||
*/
|
||||
|
||||
}
|
||||
|
||||
@ -148,6 +148,7 @@ private:
|
||||
mutable double *fOmegaMatrix;
|
||||
mutable fftw_complex *fOmegaDiffMatrix;
|
||||
mutable fftw_complex *fBkMatrix;
|
||||
mutable fftw_complex *fRealSpaceMatrix;
|
||||
mutable fftw_complex *fQMatrix;
|
||||
mutable fftw_complex *fQMatrixA;
|
||||
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user