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getting similar results to mcnp but assuming target is in rest
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@Itay-max
Itay-max committed Oct 25, 2022
1 parent 6ac128f commit 913273d
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8 changes: 8 additions & 0 deletions include/openmc/position.h
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Original file line number Diff line number Diff line change
Expand Up @@ -82,6 +82,14 @@ struct Position {
return x * other.x + y * other.y + z * other.z;
}
inline double norm() const { return std::sqrt(x * x + y * y + z * z); }
inline Position crossProduct(Position other)
{
Position k = {
y*other.z-z*other.y,
z*other.x-x*other.z,
x*other.y-y*other.x };
return k;
}

//! Reflect a direction across a normal vector
//! \param[in] other Vector to reflect across
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2 changes: 2 additions & 0 deletions include/openmc/tallies/tally_scoring.h
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Original file line number Diff line number Diff line change
Expand Up @@ -75,6 +75,8 @@ void score_collision_tally(Particle& p);
//! \param p The particle being tracked
void score_point_tally(Particle& p);

Position GetRotVector(double phi ,Position u_lab ,Position k );

//! Score tallies based on a simple count of events (for continuous energy).
//
void boostf( double A[4], double B[4], double X[4]);
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250 changes: 216 additions & 34 deletions src/tallies/tally_scoring.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,7 @@
#include <typeinfo>
#include <string>
int ghost_counter=0;
int col_counter = 0;
namespace openmc {


Expand Down Expand Up @@ -2425,18 +2426,26 @@ void score_collision_tally(Particle& p)
for (auto& match : p.filter_matches())
match.bins_present_ = false;
}
Position GetRotVector(double phi ,Position u_lab ,Position k )
{
return u_lab*std::cos(phi) + k.crossProduct(u_lab) * std::sin(phi) + k * k.dot(u_lab) * (1 - std::cos(phi));
}

void score_point_tally(Particle& p)
{
col_counter ++;
fmt::print("------------------------collison happened------------------------\n");
std::cout << "mass in ev " << p.getMass() << std::endl ;
fmt::print("col counter = {}\n",col_counter);
//std::cout << "mass in ev " << p.getMass() << std::endl ;
// Determine the collision estimate of the flux
bool verbose=true;
double ReturnArray[4];
bool verbose=false;//true;
double ReturnArray[4]= {std::nan(""),std::nan(""),std::nan(""),std::nan("")};
double flux = 0.0;
double flux1 = 0.0;
double flux2 = 0.0;
const auto& nuc {data::nuclides[p.event_nuclide()]};
double awr = nuc->awr_;
double dl = 1e-5;
double dl = 0;
getMu_COM(0,0,0,p,awr,ReturnArray , 0, dl);
const auto& rx {nuc->reactions_[0]};
auto& d = rx->products_[0].distribution_[0];
Expand All @@ -2451,26 +2460,71 @@ void score_point_tally(Particle& p)
double E1 = ReturnArray[2];
double mu_COM2 = ReturnArray[1];
double E2 = ReturnArray[3];
//double ReturnArrayPlus[4];
//double ReturnArrayMinus[4];
//getMu_COM(0,0,0,p,awr,p.getMass(),ReturnArrayPlus ,1 , 1e-5 );
//getMu_COM(0,0,0,p,awr,p.getMass(),ReturnArrayMinus ,-1 , 1e-5 );
//double MuPlus = ReturnArrayPlus[0]; // not sure about changing mu lab correctly
//double MuMinus = ReturnArrayMinus[0];
double theta_pdf = d_->angle().get_pdf_value(p.E_last(),mu_COM1,p.current_seed());
double ReturnArrayPlus[4] = {std::nan(""),std::nan(""),std::nan(""),std::nan("")};
double ReturnArrayMinus[4] = {std::nan(""),std::nan(""),std::nan(""),std::nan("")};
// calculate new detector place
// axis of rotation
// cross product of incoming and outgoing secondary - for the plane of the collison
Position k = ( p.u_last() ).crossProduct(u_lab);

// santity for cross product



// normalize k
k = k/k.norm();
double dphi = 0.00001;
Position u_lab_plus = GetRotVector(dphi,u_lab ,k);
Position u_lab_minus = GetRotVector(-dphi,u_lab ,k);
// now we rotate ulab - which is the vector to the dectctor in the plane of the collision by angle phi
/*
fmt::print("santity for cross product{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab= {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("k= {0} , {1} , {2}\n",k.x,k.y,k.z);
fmt::print("santity for Rotation{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab original = {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("u lab plus= {0} , {1} , {2}\n",u_lab_plus.x,u_lab_plus.y,u_lab_plus.z);
fmt::print("u lab minus= {0} , {1} , {2}\n",u_lab_minus.x,u_lab_minus.y,u_lab_minus.z);
fmt::print("det plus = {0} , {1} , {2}\n",(u_lab_plus + p.r()).x,(u_lab_plus + p.r()).y,(u_lab_plus + p.r()).z);
fmt::print("det minus = {0} , {1} , {2}\n",(u_lab_minus + p.r()).x,(u_lab_minus + p.r()).y,(u_lab_minus + p.r()).z);
fmt::print("theta original , plus , minus = {0} , {1} , {2}\n",theta_lab, std::acos(u_lab_plus.dot(p.u_last())) ,std::acos(u_lab_minus.dot(p.u_last())));
*/

//double derivative = std::abs(MuPlus-MuMinus)/(2*dl);
double derivative =1;
double theta_pdf_lab = theta_pdf * derivative;
// Rodrigues' Rotation Formula

getMu_COM((u_lab_plus + p.r()).x,(u_lab_plus + p.r()).y,(u_lab_plus + p.r()).z,p,awr,ReturnArrayPlus ,100 , dl);
getMu_COM((u_lab_minus + p.r()).x,(u_lab_minus + p.r()).y,(u_lab_minus + p.r()).z,p,awr,ReturnArrayMinus ,-100 , dl );
double MuPlus1 = ReturnArrayPlus[0]; // not sure about changing mu lab correctly
double MuPlus2 = ReturnArrayPlus[1];
double MuMinus1 = ReturnArrayMinus[0];
double MuMinus2 = ReturnArrayMinus[1];
double theta_pdf1 = d_->angle().get_pdf_value(p.E_last(),mu_COM1,p.current_seed());
double theta_pdf2 = d_->angle().get_pdf_value(p.E_last(),mu_COM2,p.current_seed());
double derivative1 = std::abs((MuPlus1-MuMinus1)/(2*dphi)/sin_lab);

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@Itay-max

Itay-max Oct 26, 2022 •
edited
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bc we are going from pdf in COM to LAB it is necessary to convert the pdfs with the derivative w.r.t to mu
double derivative2 = std::abs((MuPlus2-MuMinus2)/(2*dphi)/sin_lab); // divide by zero can cause nan!
/*
// one sided derivative
double derivative1 = std::abs(MuPlus1-mu_COM1)/(dphi);
double derivative2 = std::abs(MuPlus2-mu_COM2)/(dphi);
*/

//double derivative =1;
double theta_pdf_lab1 = theta_pdf1 * derivative1;
double theta_pdf_lab2 = theta_pdf2 * derivative2;
//double E_ghost = p.E_last()*(1+awr*awr+2*awr*mu_COM)/(1+awr)/(1+awr);

//double m_incoming =MASS_NEUTRON_EV;
double E_ghost = E1;
double E_ghost1 = E1;
double E_ghost2 = E2;

if(true)//(!std::isnan(mu_COM1))

// first solution
if(!std::isnan(mu_COM1))
{
Particle ghost_particle=Particle();
ghost_particle.initilze_ghost_particle(p,u_lab,E_ghost);
ghost_particle.initilze_ghost_particle(p,u_lab,E_ghost1);
ghost_counter++;
//fmt::print("---------------------ghost particle created {}---------------------\n",ghost_counter);

Expand Down Expand Up @@ -2508,12 +2562,109 @@ void score_point_tally(Particle& p)
//// kill patricle
//ghost::ghost_particles[0].event_death();
//ghost::ghost_particles.resize(0);
if(!std::isnan(flux1))
{
flux1 = ghost_particle.wgt()*exp(-total_MFP)/(2*3.14*total_distance*total_distance)*theta_pdf_lab1;
}
if(std::isnan(flux1))
{
flux1 = 0;
}
if(verbose)
{
fmt::print("------------------------flux contribution------------------------\n");
fmt::print("parent particle pos = {0} , {1} , {2}\n",p.r().x,p.r().y,p.r().z);
fmt::print("parent particle u = {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("parent particle E = {}\n",p.E_last());
fmt::print("ghost particle E = {}\n",ghost_particle.E());
fmt::print("ghost particle u = {0} , {1} , {2}\n",ghost_particle.u().x,ghost_particle.u().y,ghost_particle.u().z);
fmt::print("ghost particle Mu COM 1 Arik= {}\n",mu_COM1);
fmt::print("ghost particle Mu COM 2 Arik= {}\n",mu_COM2);
fmt::print("ghost particle Mu COM Or and Itay = {}\n",mu_COM_or_itay);
fmt::print("flux1 = {}\n",flux1);
fmt::print("theta1 cm pdf ={} \n",theta_pdf1);
fmt::print("theta2 cm pdf ={} \n",theta_pdf2);
fmt::print("MuPlus for sol 0 ={} \n",MuPlus1);
fmt::print("MuPlus for sol 1 ={} \n",MuPlus2);
fmt::print("MuMinus for sol 0 ={} \n",MuMinus1);
fmt::print("MuMinus for sol 1 ={} \n",MuMinus2);
fmt::print("derivative1 ={} \n",derivative1);
fmt::print("derivative2 ={} \n",derivative2);
fmt::print("theta1 lab pdf ={} \n",theta_pdf_lab1);
fmt::print("theta2 lab pdf ={} \n",theta_pdf_lab2);
fmt::print("santity for cross product{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab= {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("k= {0} , {1} , {2}\n",k.x,k.y,k.z);
fmt::print("santity for Rotation{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab original = {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("u lab plus= {0} , {1} , {2}\n",u_lab_plus.x,u_lab_plus.y,u_lab_plus.z);
fmt::print("u lab minus= {0} , {1} , {2}\n",u_lab_minus.x,u_lab_minus.y,u_lab_minus.z);
fmt::print("det plus = {0} , {1} , {2}\n",(u_lab_plus + p.r()).x,(u_lab_plus + p.r()).y,(u_lab_plus + p.r()).z);
fmt::print("det minus = {0} , {1} , {2}\n",(u_lab_minus + p.r()).x,(u_lab_minus + p.r()).y,(u_lab_minus + p.r()).z);
fmt::print("theta original , plus , minus = {0} , {1} , {2}\n",theta_lab, std::acos(u_lab_plus.dot(p.u_last())) ,std::acos(u_lab_minus.dot(p.u_last())));

flux = 0.5*ghost_particle.wgt()*exp(-total_MFP)/(2*3.14*total_distance*total_distance)*theta_pdf_lab;
flux = flux*2;

//fmt::print("Mu - ={} \n",MuMinus);
//fmt::print("Mu + ={} \n",MuPlus);
}
}

// second soultion
if(!std::isnan(mu_COM2))
{
Particle ghost_particle=Particle();
ghost_particle.initilze_ghost_particle(p,u_lab,E_ghost2);
ghost_counter++;
//fmt::print("---------------------ghost particle created {}---------------------\n",ghost_counter);



//calculate shilding
double total_distance = std::sqrt(p.r().x*p.r().x+p.r().y*p.r().y+p.r().z*p.r().z);
double remaining_distance = std::sqrt(p.r().x*p.r().x+p.r().y*p.r().y+p.r().z*p.r().z);
double total_MFP = 0;
ghost_particle.event_calculate_xs();
ghost_particle.boundary() = distance_to_boundary(ghost_particle);
double advance_distance = ghost_particle.boundary().distance;
while(advance_distance<remaining_distance)
{
total_MFP += advance_distance*ghost_particle.macro_xs().total;
//Advance particle in space and time
for (int j = 0; j < ghost_particle.n_coord(); ++j) {
ghost_particle.coord(j).r += advance_distance * ghost_particle.coord(j).u;
}
remaining_distance-=advance_distance;
//fmt::print("advane distance 1 ={} \n",advance_distance);
//fmt::print("advane XS 1= {}\n",ghost_particle.macro_xs().total);
//fmt::print("ghost particle speed= {}\n",ghost_particle.speed());
ghost_particle.time() += advance_distance / ghost_particle.speed();
ghost_particle.event_cross_surface();
//fmt::print("pos = {0} , {1} , {2}\n",ghost_particle.r().x,ghost_particle.r().y,ghost_particle.r().z);
ghost_particle.event_calculate_xs();
ghost_particle.boundary() = distance_to_boundary(ghost_particle);
advance_distance = ghost_particle.boundary().distance;
//fmt::print("advane distance 2 ={} \n",advance_distance);
//fmt::print("advane XS 2= {}\n",ghost_particle.macro_xs().total);

}

//// kill patricle
//ghost::ghost_particles[0].event_death();
//ghost::ghost_particles.resize(0);
if(!std::isnan(flux2))
{
flux2 = ghost_particle.wgt()*exp(-total_MFP)/(2*3.14*total_distance*total_distance)*theta_pdf_lab2;
}
if(std::isnan(flux2))
{
flux2 = 0;
}
if(verbose)
{
fmt::print("flux params = {0} {1} {2} {3}\n",ghost_particle.wgt() , exp(-total_MFP) , (2*3.14*total_distance*total_distance) ,theta_pdf_lab2 );

fmt::print("------------------------flux contribution------------------------\n");
fmt::print("parent particle pos = {0} , {1} , {2}\n",p.r().x,p.r().y,p.r().z);
fmt::print("parent particle u = {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
Expand All @@ -2523,15 +2674,42 @@ void score_point_tally(Particle& p)
fmt::print("ghost particle Mu COM 1 Arik= {}\n",mu_COM1);
fmt::print("ghost particle Mu COM 2 Arik= {}\n",mu_COM2);
fmt::print("ghost particle Mu COM Or and Itay = {}\n",mu_COM_or_itay);
fmt::print("flux = {}\n",flux);
fmt::print("theta cm pdf ={} \n",theta_pdf);
fmt::print("derivative ={} \n",derivative);
fmt::print("theta lab pdf ={} \n",theta_pdf_lab);
//fmt::print("Mu - ={} \n",MuMinus);
fmt::print("flux2 = {}\n",flux2);
fmt::print("theta1 cm pdf ={} \n",theta_pdf1);
fmt::print("theta2 cm pdf ={} \n",theta_pdf2);
fmt::print("derivative1 ={} \n",derivative1);
fmt::print("derivative2 ={} \n",derivative2);
fmt::print("theta1 lab pdf ={} \n",theta_pdf_lab1);
fmt::print("theta2 lab pdf ={} \n",theta_pdf_lab2);

fmt::print("MuPlus for sol 0 ={} \n",MuPlus1);
fmt::print("MuPlus for sol 1 ={} \n",MuPlus2);

fmt::print("MuMinus for sol 0 ={} \n",MuMinus1);
fmt::print("MuMinus for sol 1 ={} \n",MuMinus2);


fmt::print("santity for cross product{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab= {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("k= {0} , {1} , {2}\n",k.x,k.y,k.z);
fmt::print("santity for Rotation{0} \n",1);
fmt::print("u last= {0} , {1} , {2}\n",p.u_last().x,p.u_last().y,p.u_last().z);
fmt::print("u lab original = {0} , {1} , {2}\n",u_lab.x,u_lab.y,u_lab.z);
fmt::print("u lab plus= {0} , {1} , {2}\n",u_lab_plus.x,u_lab_plus.y,u_lab_plus.z);
fmt::print("u lab minus= {0} , {1} , {2}\n",u_lab_minus.x,u_lab_minus.y,u_lab_minus.z);
fmt::print("det plus = {0} , {1} , {2}\n",(u_lab_plus + p.r()).x,(u_lab_plus + p.r()).y,(u_lab_plus + p.r()).z);
fmt::print("det minus = {0} , {1} , {2}\n",(u_lab_minus + p.r()).x,(u_lab_minus + p.r()).y,(u_lab_minus + p.r()).z);
fmt::print("theta original , plus , minus = {0} , {1} , {2}\n",theta_lab, std::acos(u_lab_plus.dot(p.u_last())) ,std::acos(u_lab_minus.dot(p.u_last())));
fmt::print("p weight = {0} last ={1}\n",p.wgt(),p.wgt_last());
//fmt::print("Mu - ={} \n",MuMinus);
//fmt::print("Mu + ={} \n",MuPlus);
}
}


flux = flux1 + flux2;

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@Itay-max

Itay-max Oct 26, 2022

Author

took the sum over the two solutions for mu

if (p.type() != ParticleType::neutron) {
if(p.event_mt() != 2)
{
Expand Down Expand Up @@ -2903,7 +3081,7 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
double r2[4]= {0, p_col.r().x, p_col.r().y, p_col.r().z}; // collision position lab {ignor, x, y, z}
double r3[4]; // r1-r2 vector from collision to detector
double m2= m1*awr; // mass of target matirial
double m3= m1; // mass of outgoing particle to detector
double m3= m1; // mass of outgoing particle to detector (rest mass?)
double m4= m2; // mass of recoil target system
double p1[3]={p1_tot*p_col.u_last().x,p1_tot* p_col.u_last().y,p1_tot* p_col.u_last().z}; // 3 momentum of incoming particle
double p2[3]={0, 0, 0}; //3 momentum of target in lab
Expand Down Expand Up @@ -2960,7 +3138,7 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
CME3=(mCM*mCM-m4*m4+m3*m3)/(2*mCM); // energy of out going particle in CM
CMp3=sqrt(CME3*CME3-m3*m3);

std::cout<<" mCM= "<<mCM<<" pCM= "<<pCM<<" CME3= "<<CME3<<std::endl;
//std::cout<<" mCM= "<<mCM<<" pCM= "<<pCM<<" CME3= "<<CME3<<std::endl;

boostf(CM,Fp1,CMFp1);
boostf(CM,Fp2,CMFp2);
Expand All @@ -2969,8 +3147,12 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
Vunit(LAB,ULAB);
Vunit(r3,Ur3);
cosLAB=Vdot(UCM,Ur3);
if (diff_mode == 1 && cosLAB+dl<=1)
{cosLAB = cosLAB+dl;}
if (diff_mode == -1 && cosLAB-dl>=-1)
{cosLAB = cosLAB-dl;}

std::cout<<"cosLAB= "<<cosLAB<<std::endl;
//std::cout<<"cosLAB= "<<cosLAB<<std::endl;
Vunit(CMFp1,CMUp1);


Expand All @@ -2981,7 +3163,7 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
int j=1;

if(bb*bb-4*aa*cc<0) {
std::cout<<" detector out of range" <<std::endl;
//std::cout<<" detector out of range" <<std::endl;
return; //continue;
}
p3LAB[0]=(-bb+sqrt(bb*bb-4*aa*cc))/2.0/aa;
Expand All @@ -2995,11 +3177,11 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
if(p3LAB[1]>0) j=j+1;
}

std::cout<<" p3LAB1= "<<(-bb+sqrt(bb*bb-4*aa*cc))/2.0/aa<<" p3LAB2= "<<(-bb-sqrt(bb*bb-4*aa*cc))/2.0/aa<<std::endl;
//std::cout<<" p3LAB1= "<<(-bb+sqrt(bb*bb-4*aa*cc))/2.0/aa<<" p3LAB2= "<<(-bb-sqrt(bb*bb-4*aa*cc))/2.0/aa<<std::endl;

for (int l=0;l<j;l++){

std::cout<<"l= "<<l<<std::endl;
//std::cout<<"l= "<<l<<std::endl;

Fp3[0]=sqrt(p3LAB[l]*p3LAB[l]+m3*m3);
for(int i=0; i<3; i++){
Expand All @@ -3011,11 +3193,11 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
cosCM=Vdot(UCM,CMUp3); // input to openMC Cross section calculation
ReturnArray[l] = cosCM;
ReturnArray[l+2] = (Fp3[0]-m3)*1e6; //retrun Energy in eV
/*
std::cout<<"cosCM= "<<cosCM<<std::endl;

std::cout<<" ----------- running diff mode: "<< diff_mode << " with dl = "<< dl <<" -----------------------------------"<<std::endl;
std::cout<<" ----------- sanity tests for solution "<< l <<" -----------------------------------"<<std::endl;

std::cout<<"cosCM= "<<cosCM<<std::endl;
Vunit(Fp3,UFp3);
std::cout<<Vdot(UCM,UFp3)<<" = cosLAB = "<<cosLAB<<std::endl;
Expand Down Expand Up @@ -3054,7 +3236,7 @@ void getMu_COM(double x_det , double y_det , double z_det ,Particle p_col , doub
std::cout<<"cos( atan( tanLab= "<<cos(atan(tanLab))<<std::endl;

*/
}

}
Expand Down

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