G4LatticeLogical.cc

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// $Id: G4LatticeLogical.cc 76764 2013-11-15 09:37:24Z gcosmo $
//
#include "G4LatticeLogical.hh"
#include "G4SystemOfUnits.hh"
#include "G4PhysicalConstants.hh"
#include <cmath>
#include <fstream>


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G4LatticeLogical::G4LatticeLogical()
  : verboseLevel(0), fVresTheta(0), fVresPhi(0), fDresTheta(0), fDresPhi(0),
    fA(0), fB(0), fLDOS(0), fSTDOS(0), fFTDOS(0),
    fBeta(0), fGamma(0), fLambda(0), fMu(0) {
  for (G4int i=0; i<3; i++) {
    for (G4int j=0; j<MAXRES; j++) {
      for (G4int k=0; k<MAXRES; k++) {
    fMap[i][j][k] = 0.;
    fN_map[i][j][k].set(0.,0.,0.);
      }
    }
  }
}

G4LatticeLogical::~G4LatticeLogical() {;}

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//Load map of group velocity scalars (m/s)
G4bool G4LatticeLogical::LoadMap(G4int tRes, G4int pRes,
                 G4int polarizationState, G4String map) {
  if (tRes>MAXRES || pRes>MAXRES) {
    G4cerr << "G4LatticeLogical::LoadMap exceeds maximum resolution of "
           << MAXRES << " by " << MAXRES << ". terminating." << G4endl;
    return false;       //terminate if resolution out of bounds.
  }

  std::ifstream fMapFile(map.data());
  if (!fMapFile.is_open()) return false;

  G4double vgrp = 0.;
  for (G4int theta = 0; theta<tRes; theta++) {
    for (G4int phi = 0; phi<pRes; phi++) {
      fMapFile >> vgrp;
      fMap[polarizationState][theta][phi] = vgrp * (m/s);
    }
  }

  if (verboseLevel) {
    G4cout << "\nG4LatticeLogical::LoadMap(" << map << ") successful"
       << " (Vg scalars " << tRes << " x " << pRes << " for polarization "
       << polarizationState << ")." << G4endl;
  }

  fVresTheta=tRes; //store map dimensions
  fVresPhi=pRes;
  return true;
}

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//Load map of group velocity unit vectors
G4bool G4LatticeLogical::Load_NMap(G4int tRes, G4int pRes,
                   G4int polarizationState, G4String map) {
  if (tRes>MAXRES || pRes>MAXRES) {
    G4cerr << "G4LatticeLogical::LoadMap exceeds maximum resolution of "
           << MAXRES << " by " << MAXRES << ". terminating." << G4endl;
    return false;       //terminate if resolution out of bounds.
  }

  std::ifstream fMapFile(map.data());
  if(!fMapFile.is_open()) return false;

  G4double x,y,z;   // Buffers to read coordinates from file
  G4ThreeVector dir;
  for (G4int theta = 0; theta<tRes; theta++) {
    for (G4int phi = 0; phi<pRes; phi++) {
      fMapFile >> x >> y >> z;
      dir.set(x,y,z);
      fN_map[polarizationState][theta][phi] = dir.unit();   // Enforce unity
    }
  }

  if (verboseLevel) {
    G4cout << "\nG4LatticeLogical::Load_NMap(" << map << ") successful"
       << " (Vdir " << tRes << " x " << pRes << " for polarization "
       << polarizationState << ")." << G4endl;
  }

  fDresTheta=tRes; //store map dimensions
  fDresPhi=pRes;
  return true;
}

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//Given the phonon wave vector k, phonon physical volume Vol 
//and polarizationState(0=LON, 1=FT, 2=ST), 
//returns phonon velocity in m/s

G4double G4LatticeLogical::MapKtoV(G4int polarizationState,
                   const G4ThreeVector& k) const {
  G4double theta, phi, tRes, pRes;

  tRes=pi/fVresTheta;
  pRes=twopi/fVresPhi;
  
  theta=k.getTheta();
  phi=k.getPhi();

  if(phi<0) phi = phi + twopi;
  if(theta>pi) theta=theta-pi;

  G4double Vg = fMap[polarizationState][int(theta/tRes)][int(phi/pRes)];

  if(Vg == 0){
      G4cout<<"\nFound v=0 for polarization "<<polarizationState
            <<" theta "<<theta<<" phi "<<phi<< " translating to map coords "
            <<"theta "<< int(theta/tRes) << " phi " << int(phi/pRes)<<G4endl;
  }

  if (verboseLevel>1) {
    G4cout << "G4LatticeLogical::MapKtoV theta,phi=" << theta << " " << phi
       << " : ith,iph " << int(theta/tRes) << " " << int(phi/pRes)
       << " : V " << Vg << G4endl;
  }

  return Vg;
}

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//Given the phonon wave vector k, phonon physical volume Vol 
//and polarizationState(0=LON, 1=FT, 2=ST), 
//returns phonon propagation direction as dimensionless unit vector

G4ThreeVector G4LatticeLogical::MapKtoVDir(G4int polarizationState,
                       const G4ThreeVector& k) const {  
  G4double theta, phi, tRes, pRes;

  tRes=pi/(fDresTheta-1);//The summant "-1" is required:index=[0:array length-1]
  pRes=2*pi/(fDresPhi-1);

  theta=k.getTheta();
  phi=k.getPhi(); 

  if(theta>pi) theta=theta-pi;
  //phi=[0 to 2 pi] in accordance with DMC //if(phi>pi/2) phi=phi-pi/2;
  if(phi<0) phi = phi + 2*pi;

  G4int iTheta = int(theta/tRes+0.5);
  G4int iPhi = int(phi/pRes+0.5);

  if (verboseLevel>1) {
    G4cout << "G4LatticeLogical::MapKtoVDir theta,phi=" << theta << " " << phi
       << " : ith,iph " << iTheta << " " << iPhi
       << " : dir " << fN_map[polarizationState][iTheta][iPhi] << G4endl;
  }

  return fN_map[polarizationState][iTheta][iPhi];
}

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// Dump structure in format compatible with reading back

void G4LatticeLogical::Dump(std::ostream& os) const {
  os << "dyn " << fBeta << " " << fGamma << " " << fLambda << " " << fMu
     << "\nscat " << fB << " decay " << fA
     << "\nLDOS " << fLDOS << " STDOS " << fSTDOS << " FTDOS " << fFTDOS
     << std::endl;

  Dump_NMap(os, 0, "LVec.ssv");
  Dump_NMap(os, 1, "FTVec.ssv");
  Dump_NMap(os, 2, "STVec.ssv");

  DumpMap(os, 0, "L.ssv");
  DumpMap(os, 1, "FT.ssv");
  DumpMap(os, 2, "ST.ssv");
}

void G4LatticeLogical::DumpMap(std::ostream& os, G4int pol,
                   const G4String& name) const {
  os << "VG " << name << " " << (pol==0?"L":pol==1?"FT":pol==2?"ST":"??")
     << " " << fVresTheta << " " << fVresPhi << std::endl;

  for (G4int iTheta=0; iTheta<fVresTheta; iTheta++) {
    for (G4int iPhi=0; iPhi<fVresPhi; iPhi++) {
      os << fMap[pol][iTheta][iPhi] << std::endl;
    }
  }
}

void G4LatticeLogical::Dump_NMap(std::ostream& os, G4int pol,
                 const G4String& name) const {
  os << "VDir " << name << " " << (pol==0?"L":pol==1?"FT":pol==2?"ST":"??")
     << " " << fDresTheta << " " << fDresPhi << std::endl;

  for (G4int iTheta=0; iTheta<fDresTheta; iTheta++) {
    for (G4int iPhi=0; iPhi<fDresPhi; iPhi++) {
      os << fN_map[pol][iTheta][iPhi].x()
     << " " << fN_map[pol][iTheta][iPhi].y()
     << " " << fN_map[pol][iTheta][iPhi].z()
     << std::endl;
    }
  }
}