- Removed the extensions of the external libraries in the test files.
ROOT is anyway checking multiple extensions for dynamic libraries, therefore leaving them out yields platform-independent msr files. - Minor changes in libTFitPofB - Added a user function for Uemura's ZF/LF dynamical spin-glass relaxation function see, e.g. Y.J. Uemura et al., Phys. Rev. B 31, 546-563 (1985) or Y.J. Uemura, Hyperfine Interact. 8, 739 (1981) This yields an overall Lorentzian field distribution with motional narrowing. However, the present implementation is at best some design study: The Lorentzian distribution of width "a" is modeled by Gaussian distributions of widths "sigma" from 0 to infinity. Some "resonable cut-offs" would be: 0.1*a < sigma < 10000*a Due to finite memory and computing power, in the present version these cut-offs are: 0.1*a < sigma < 40*a This yields depolarization functions overall similar to those in Uemura's articles. However, due to the low cut-off the first derivative of the depolarization function is zero in the limit t->0 (what should not be the case for a true Lorentzan). Furthermore, the calculation is rather slow and the resulting functions should only be regarded as crude approximations. Therefore, at the moment this is far from being of practical use in analyzing experimental data.
This commit is contained in:
Bastian M. Wojek
17
src/external/libLFRelaxation/README
vendored
17
src/external/libLFRelaxation/README
vendored
@ -3,17 +3,18 @@
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Author: Bastian M. Wojek
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e-mail: bastian.wojek@psi.ch
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2008/12/05
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2011/03/12
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***************************************************************************/
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Implementation of a userFcn-interface to Gaussian and Lorentzian static and dynamic LF relaxation functions.
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At the moment this is localized to l_wojek@pc5405, because an absolute path had to be set. Of course this can be easily
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changed in the code if needed.
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At the moment this is a simple alternative implementation to the functions provided by musrfit itself.
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Mostly, this effort should be regarded as a design study which is not really indended for production use.
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The functions are then called from within musrfit as:
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The functions are called from within musrfit as:
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userFcn libLFRelaxation.so TLFStatGssKT 1 2 (frequency rate)
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userFcn libLFRelaxation.so TLFStatLorKT 1 2 (frequency rate)
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userFcn libLFRelaxation.so TLFDynGssKT 1 2 3 (frequency rate fluct.rate)
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userFcn libLFRelaxation.so TLFDynLorKT 1 2 3 (frequency rate fluct.rate)
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userFcn libLFRelaxation TLFStatGssKT 1 2 (frequency rate)
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userFcn libLFRelaxation TLFStatLorKT 1 2 (frequency rate)
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userFcn libLFRelaxation TLFDynGssKT 1 2 3 (frequency rate fluct.rate)
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userFcn libLFRelaxation TLFDynLorKT 1 2 3 (frequency rate fluct.rate)
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userFcn libLFRelaxation TLFDynSG 1 2 3 (frequency rate fluct.rate)
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103
src/external/libLFRelaxation/TLFRelaxation.cpp
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103
src/external/libLFRelaxation/TLFRelaxation.cpp
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@ -41,7 +41,7 @@ using namespace std;
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#define PI 3.14159265358979323846
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#define TWOPI 6.28318530717958647692
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#define Nsteps 100
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ClassImp(TLFStatGssKT)
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ClassImp(TLFStatLorKT)
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@ -140,7 +140,7 @@ TLFDynGssKT::TLFDynGssKT() : fCalcNeeded(true), fFirstCall(true), fWisdom("Words
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if (wordsOfWisdomR == NULL) {
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cout << "TLFDynGssKT::TLFDynGssKT: Couldn't open wisdom file ..." << endl;
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} else {
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wisdomLoaded = fftw_import_wisdom_from_file(wordsOfWisdomR);
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wisdomLoaded = fftwf_import_wisdom_from_file(wordsOfWisdomR);
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fclose(wordsOfWisdomR);
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}
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@ -150,11 +150,11 @@ TLFDynGssKT::TLFDynGssKT() : fCalcNeeded(true), fFirstCall(true), fWisdom("Words
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// END of WisdomLoading
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// allocating memory for the FFtransform pairs and create the FFT plans
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fFFTtime = (double *)malloc(sizeof(double) * fNSteps);
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fFFTfreq = (fftw_complex *)fftw_malloc(sizeof(fftw_complex) * (fNSteps/2+1));
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fFFTplanFORW = fftw_plan_dft_r2c_1d(fNSteps, fFFTtime, fFFTfreq, FFTW_ESTIMATE);
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fFFTplanBACK = fftw_plan_dft_c2r_1d(fNSteps, fFFTfreq, fFFTtime, FFTW_ESTIMATE);
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fFFTtime = (float *)malloc(sizeof(float) * fNSteps);
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fFFTfreq = (fftwf_complex *)fftwf_malloc(sizeof(fftwf_complex) * (fNSteps/2+1));
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fFFTplanFORW = fftwf_plan_dft_r2c_1d(fNSteps, fFFTtime, fFFTfreq, FFTW_ESTIMATE);
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fFFTplanBACK = fftwf_plan_dft_c2r_1d(fNSteps, fFFTfreq, fFFTtime, FFTW_ESTIMATE);
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}
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TLFDynGssKT::~TLFDynGssKT() {
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@ -164,22 +164,22 @@ TLFDynGssKT::~TLFDynGssKT() {
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if (wordsOfWisdomW == NULL) {
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cout << "TLFDynGssKT::~TLFDynGssKT: Could not open file ... No wisdom is exported..." << endl;
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} else {
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fftw_export_wisdom_to_file(wordsOfWisdomW);
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fftwf_export_wisdom_to_file(wordsOfWisdomW);
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fclose(wordsOfWisdomW);
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}
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// END of Wisdom Export
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// clean up
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fftw_destroy_plan(fFFTplanFORW);
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fftw_destroy_plan(fFFTplanBACK);
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fftwf_destroy_plan(fFFTplanFORW);
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fftwf_destroy_plan(fFFTplanBACK);
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free(fFFTtime);
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fftw_free(fFFTfreq);
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fftwf_free(fFFTfreq);
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cout << "TLFDynGssKT::~TLFDynGssKT(): " << fCounter << " full FFT cycles needed..." << endl;
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}
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double TLFDynGssKT::operator()(double t, const vector<double> &par) const {
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assert(par.size() == 3); // three parameters nuL=gbar*B,sigma,fluct.rate nu
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assert(par.size() == 3 || par.size() == 4); // three parameters nuL=gbar*B,sigma,fluct.rate nu (fourth parameter: t[us] for SG-function)
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if(t<0.0)
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return 1.0;
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@ -192,7 +192,7 @@ double TLFDynGssKT::operator()(double t, const vector<double> &par) const {
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fFirstCall=false;
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}
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for (unsigned int i(0); i<par.size(); i++) {
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for (unsigned int i(0); i<3; i++) {
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if( fPar[i]-par[i] ) {
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fPar[i] = par[i];
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fCalcNeeded=true;
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@ -263,7 +263,7 @@ double TLFDynGssKT::operator()(double t, const vector<double> &par) const {
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*/
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// Transform to frequency domain
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fftw_execute(fFFTplanFORW);
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fftwf_execute(fFFTplanFORW);
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// calculate F(s)
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@ -279,7 +279,7 @@ double TLFDynGssKT::operator()(double t, const vector<double> &par) const {
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// Transform back to time domain
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fftw_execute(fFFTplanBACK);
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fftwf_execute(fFFTplanBACK);
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// for (unsigned int i(0); i<fNSteps; i++) {
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// fFFTtime[i]=(fDw*TMath::Exp(fC*i*fDt)/TMath::Pi()*fFFTtime[i]);
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@ -296,6 +296,57 @@ double TLFDynGssKT::operator()(double t, const vector<double> &par) const {
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return fDw*exp(fC*t)/PI*fFFTtime[int(t/fDt)];
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}
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// LF Dynamic Spin Glass Relaxation
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TLFDynSG::TLFDynSG() {
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for(unsigned int i(0); i<Nsteps; ++i)
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fLFDynGssIntegral.push_back(new TLFDynGssKT());
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fPar.resize(3, 0.0);
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}
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TLFDynSG::~TLFDynSG() {
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for(unsigned int i(0); i<Nsteps; ++i)
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delete fLFDynGssIntegral[i];
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fLFDynGssIntegral.clear();
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fPar.clear();
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}
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double TLFDynSG::operator()(double t, const vector<double> &par) const {
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assert(par.size() == 3); // three parameters nuL=gbar*B, a ,fluct.rate nu
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if(t<0.0)
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return 1.0;
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if(t>20.0)
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return 0.0;
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// Parameters for the integration
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for (unsigned int i(0); i<3; ++i)
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fPar[i] = par[i];
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double sigma_step((40.0-0.1)*par[1]/static_cast<double>(Nsteps));
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// at the moment, integrate between 0.1a and 40a (a "real upper limit" would be 10000a)
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double integral(0.0);
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double a_sigmaSq(0.0);
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double rho(0.0);
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double rhoNormalizer(0.0); // is [1/]sqrt(2./PI) when the integration is done between 0 and infinity
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for (unsigned int i(0); i<Nsteps; ++i) {
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fPar[1] = 0.1*par[1] + (static_cast<double>(i) + 0.5)*sigma_step;
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a_sigmaSq = (par[1]/(fPar[1]*fPar[1]));
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rho = a_sigmaSq*exp(-0.5*par[1]*a_sigmaSq);
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rhoNormalizer += rho;
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integral += (*(fLFDynGssIntegral[i]))(t, fPar)*rho;
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}
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integral /= rhoNormalizer;
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//cout << "value at " << t << ": " << integral << endl;
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return integral;
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}
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// LF Dynamic Lorentz KT
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TLFDynLorKT::TLFDynLorKT() : fCalcNeeded(true), fFirstCall(true), fWisdom("WordsOfWisdom.dat"), fNSteps(524288), fDt(0.000040), fCounter(0), fL1(0.0), fL2(0.0) {
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@ -311,7 +362,7 @@ TLFDynLorKT::TLFDynLorKT() : fCalcNeeded(true), fFirstCall(true), fWisdom("Words
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if (wordsOfWisdomR == NULL) {
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cout << "TLFDynLorKT::TLFDynLorKT: Couldn't open wisdom file ..." << endl;
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} else {
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wisdomLoaded = fftw_import_wisdom_from_file(wordsOfWisdomR);
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wisdomLoaded = fftwf_import_wisdom_from_file(wordsOfWisdomR);
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fclose(wordsOfWisdomR);
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}
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@ -322,10 +373,10 @@ TLFDynLorKT::TLFDynLorKT() : fCalcNeeded(true), fFirstCall(true), fWisdom("Words
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// allocating memory for the FFtransform pairs and create the FFT plans
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fFFTtime = (double *)malloc(sizeof(double) * fNSteps);
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fFFTfreq = (fftw_complex *)fftw_malloc(sizeof(fftw_complex) * (fNSteps/2+1));
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fFFTplanFORW = fftw_plan_dft_r2c_1d(fNSteps, fFFTtime, fFFTfreq, FFTW_ESTIMATE);
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fFFTplanBACK = fftw_plan_dft_c2r_1d(fNSteps, fFFTfreq, fFFTtime, FFTW_ESTIMATE);
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fFFTtime = (float *)malloc(sizeof(float) * fNSteps);
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fFFTfreq = (fftwf_complex *)fftwf_malloc(sizeof(fftwf_complex) * (fNSteps/2+1));
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fFFTplanFORW = fftwf_plan_dft_r2c_1d(fNSteps, fFFTtime, fFFTfreq, FFTW_ESTIMATE);
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fFFTplanBACK = fftwf_plan_dft_c2r_1d(fNSteps, fFFTfreq, fFFTtime, FFTW_ESTIMATE);
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}
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TLFDynLorKT::~TLFDynLorKT() {
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@ -335,16 +386,16 @@ TLFDynLorKT::~TLFDynLorKT() {
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if (wordsOfWisdomW == NULL) {
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cout << "TLFDynLorKT::~TLFDynLorKT: Could not open file ... No wisdom is exported..." << endl;
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} else {
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fftw_export_wisdom_to_file(wordsOfWisdomW);
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fftwf_export_wisdom_to_file(wordsOfWisdomW);
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fclose(wordsOfWisdomW);
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}
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// END of Wisdom Export
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// clean up
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fftw_destroy_plan(fFFTplanFORW);
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fftw_destroy_plan(fFFTplanBACK);
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fftwf_destroy_plan(fFFTplanFORW);
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fftwf_destroy_plan(fFFTplanBACK);
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free(fFFTtime);
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fftw_free(fFFTfreq);
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fftwf_free(fFFTfreq);
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cout << "TLFDynLorKT::~TLFDynLorKT(): " << fCounter << " full FFT cyles needed..." << endl;
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}
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@ -457,7 +508,7 @@ double TLFDynLorKT::operator()(double t, const vector<double> &par) const {
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// Transform to frequency domain
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fftw_execute(fFFTplanFORW);
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fftwf_execute(fFFTplanFORW);
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// calculate F(s)
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@ -474,7 +525,7 @@ double TLFDynLorKT::operator()(double t, const vector<double> &par) const {
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// Transform back to time domain
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fftw_execute(fFFTplanBACK);
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fftwf_execute(fFFTplanBACK);
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// for (unsigned int i(0); i<fNSteps; i++) {
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// fFFTtime[i]=(fDw*TMath::Exp(fC*i*fDt)/TMath::Pi()*fFFTtime[i]);
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35
src/external/libLFRelaxation/TLFRelaxation.h
vendored
35
src/external/libLFRelaxation/TLFRelaxation.h
vendored
@ -107,10 +107,10 @@ private:
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double fDt;
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double fDw;
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double fC;
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fftw_plan fFFTplanFORW;
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fftw_plan fFFTplanBACK;
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double *fFFTtime;
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fftw_complex *fFFTfreq;
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fftwf_plan fFFTplanFORW;
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fftwf_plan fFFTplanBACK;
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float *fFFTtime;
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fftwf_complex *fFFTfreq;
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mutable unsigned int fCounter;
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ClassDef(TLFDynGssKT,1)
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@ -137,10 +137,10 @@ private:
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double fDt;
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double fDw;
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double fC;
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fftw_plan fFFTplanFORW;
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fftw_plan fFFTplanBACK;
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double *fFFTtime;
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fftw_complex *fFFTfreq;
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fftwf_plan fFFTplanFORW;
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fftwf_plan fFFTplanBACK;
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float *fFFTtime;
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fftwf_complex *fFFTfreq;
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mutable unsigned int fCounter;
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mutable double fL1;
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mutable double fL2;
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@ -148,6 +148,25 @@ private:
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ClassDef(TLFDynLorKT,1)
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};
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class TLFDynSG : public PUserFcnBase {
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public:
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TLFDynSG();
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~TLFDynSG();
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Bool_t NeedGlobalPart() const { return false; }
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void SetGlobalPart(vector<void *> &globalPart, UInt_t idx) { }
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Bool_t GlobalPartIsValid() const { return true; }
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double operator()(double, const vector<double>&) const;
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private:
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mutable vector<double> fPar;
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vector<TLFDynGssKT*> fLFDynGssIntegral;
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ClassDef(TLFDynSG,1)
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};
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class TLFSGInterpolation : public PUserFcnBase {
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public:
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@ -40,6 +40,7 @@
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#pragma link C++ class TLFStatLorKT+;
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#pragma link C++ class TLFDynGssKT+;
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#pragma link C++ class TLFDynLorKT+;
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#pragma link C++ class TLFDynSG+;
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#pragma link C++ class TLFSGInterpolation+;
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#endif //__CINT__
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