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minor improvement

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hrocho 2019-10-14 11:21:38 +02:00
parent fcea9d29bd
commit c99734235b
3 changed files with 22 additions and 26 deletions
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27
calculations.cpp
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@ -50,7 +50,7 @@ double dedx_n(const Projectile &p, const Target &t){
else if(epsilon<=30){ else if(epsilon<=30){
assert(p.A>0); assert(p.A>0);
assert(epsilon>0); assert(epsilon>0);
sn = log(1+(1.1383*epsilon))/ (2*(epsilon + 0.01321*pow(epsilon,0.21226) + 0.19593*pow(epsilon,0.5))); sn = log1p(1.1383*epsilon)/ (2*(epsilon + 0.01321*pow(epsilon,0.21226) + 0.19593*pow(epsilon,0.5)));
} }
else{ else{
assert(p.A>0); assert(p.A>0);
@ -134,9 +134,11 @@ double bethek_barkas(double zp_eff,double eta, double zt){
else if((v1 >= 1) && v1 < 4){//VALUES FROM THE JACKSON MC CARTHY FUNCTION //PHYS. REV. B 6 4131 P4136 else if((v1 >= 1) && v1 < 4){//VALUES FROM THE JACKSON MC CARTHY FUNCTION //PHYS. REV. B 6 4131 P4136
int i; int i;
for(i=1; i<4; i++){ for(i=1; i<4; i++){
if( VA[i] >= v1) break; if( VA[i] >= v1){
}
v2fv = V2FVA[i-1]+(v1-VA[i-1])*(V2FVA[i]-V2FVA[i-1])/(VA[i]-VA[i-1]); v2fv = V2FVA[i-1]+(v1-VA[i-1])*(V2FVA[i]-V2FVA[i-1])/(VA[i]-VA[i-1]);
break;
}
}
} }
else{ else{
v2fv=0; v2fv=0;
@ -185,8 +187,7 @@ double bethek_lindhard(const Projectile &p){
double k0 = n; double k0 = n;
int max = (n==1)?3:2; int max = (n==1)?3:2;
for(int i=0;i<max;i++){ for(int i=0;i<max;i++){
double k; double k = k0;
if(i==0)k=k0;
if(i==1)k=-k0 - 1.0; if(i==1)k=-k0 - 1.0;
if(i==2)k=-k0; if(i==2)k=-k0;
double l = (k>0)?k:-k-1.0; double l = (k>0)?k:-k-1.0;
@ -303,8 +304,7 @@ double bethek_lindhard_X(const Projectile &p){
//int max = (n==1)?4:2; //int max = (n==1)?4:2;
int max = 4; int max = 4;
for(int i=0;i<max;i++){ for(int i=0;i<max;i++){
double k; double k=k0;
if(i==0)k=k0;
if(i==1)k=-k0 - 1.0; if(i==1)k=-k0 - 1.0;
if(i==2 && n==1)k=-k0; if(i==2 && n==1)k=-k0;
if(i==3)k=-k0 - 2.0; if(i==3)k=-k0 - 2.0;
@ -354,7 +354,7 @@ double bethek_lindhard_X(const Projectile &p){
double asum = a0; double asum = a0;
double bsum = b0; double bsum = b0;
double nn = 1.0; double nn = 1.0;
while(fabs(anm1/asum)>1e-6 && fabs(anm1/asum)>1e-6){ while(fabs(anm1/asum)>1e-6 ){
double bn = ((rho-gz)*an + fine_structure*z1*anm1/2.0)/(2.0*nn+2.0*fabs(k)+1.0); double bn = ((rho-gz)*an + fine_structure*z1*anm1/2.0)/(2.0*nn+2.0*fabs(k)+1.0);
double anp1 = ((gz+rho)*bn - fine_structure*z1*bnm1/2.0)/(2.0*nn + 2.0); double anp1 = ((gz+rho)*bn - fine_structure*z1*bnm1/2.0)/(2.0*nn + 2.0);
asum += an; asum += an;
@ -419,7 +419,6 @@ double bethek_lindhard_X(const Projectile &p){
} }
double pair_production(const Projectile &p, const Target &t){ double pair_production(const Projectile &p, const Target &t){
double s=0.0;
double gamma=1.0 + p.T/atomic_mass_unit; double gamma=1.0 + p.T/atomic_mass_unit;
double d = 1.0/sqrt(gamma); double d = 1.0/sqrt(gamma);
double logd2 = log(d*d); double logd2 = log(d*d);
@ -432,14 +431,14 @@ double pair_production(const Projectile &p, const Target &t){
+ ( ((28.0*l0/(9.0)) - 446.0/27.0)*logd2/(M_PI*M_PI)) + ( ((28.0*l0/(9.0)) - 446.0/27.0)*logd2/(M_PI*M_PI))
+ (14.0*logd2*logd2/(9.0*M_PI*M_PI)); + (14.0*logd2*logd2/(9.0*M_PI*M_PI));
L1 *= d; L1 *= d;
s = 0.25*dedx_constant*fine_structure*fine_structure*p.Z*p.Z*t.Z*t.Z*gamma*(1.0+(1.0/t.Z))*(L0screen + L1)/t.A; double s = 0.25*dedx_constant*fine_structure*fine_structure*p.Z*p.Z*t.Z*t.Z*gamma*(1.0+(1.0/t.Z))*(L0screen + L1)/t.A;
return (s<0.0)?0.0:s; return (s<0.0)?0.0:s;
}; };
double bremsstrahlung(const Projectile &p, const Target &t){ double bremsstrahlung(const Projectile &p, const Target &t){
double gamma=1.0 + p.T/atomic_mass_unit; double gamma=1.0 + p.T/atomic_mass_unit;
double R = 1.18*(catima::power(p.A, 1.0/3.0) + catima::power(t.A, 1.0/3.0)); double R = 1.18*(catima::power(p.A, 1.0/3.0) + catima::power(t.A, 1.0/3.0));
double Lbs = log(1.0 + 2.0*gamma*0.1*hbar*c_light/atomic_mass_unit/R/p.A); double Lbs = log1p(2.0*gamma*0.1*hbar*c_light/atomic_mass_unit/R/p.A);
double C = dedx_constant*fine_structure*(electron_mass/atomic_mass_unit); double C = dedx_constant*fine_structure*(electron_mass/atomic_mass_unit);
return 16.0*C*gamma*p.Z*p.Z*p.Z*p.Z*t.Z*t.Z*Lbs/(t.A*p.A*3.0*4.0*M_PI); return 16.0*C*gamma*p.Z*p.Z*p.Z*p.Z*t.Z*t.Z*Lbs/(t.A*p.A*3.0*4.0*M_PI);
}; };
@ -730,15 +729,15 @@ double z_eff_atima14(double pz, double T, double tz){
#ifdef GLOBAL #ifdef GLOBAL
double qpb; double qpb;
double qhigh,qwinger,qglobal=0.0; double qhigh,qwinger,qglobal=0.0;
double c1 = 1.4;
double c2 = 0.28;
double c3 = 0.04;
double beta = beta_from_T(T); double beta = beta_from_T(T);
double gamma = gamma_from_T(T); double gamma = gamma_from_T(T);
double emax, emin; double emax, emin;
qpb = z_eff_Pierce_Blann(pz,beta); qpb = z_eff_Pierce_Blann(pz,beta);
if(T>30.0 && T<1500.0 && pz>28){ if(T>30.0 && T<1500.0 && pz>28){
double c1 = 1.4;
double c2 = 0.28;
double c3 = 0.04;
qglobal = z_eff_global(pz,T,tz); qglobal = z_eff_global(pz,T,tz);
qglobal = (qglobal - qpb)*c1/catima::power(tz+1,c2)*(1-exp(-c3*T)) + qpb; qglobal = (qglobal - qpb)*c1/catima::power(tz+1,c2)*(1-exp(-c3*T)) + qpb;
} }

15
catima.cpp
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@ -48,11 +48,10 @@ double dedx(Projectile &p, const Material &mat, const Config &c){
double domega2dx(Projectile &p, double T, const Material &mat, const Config &c){ double domega2dx(Projectile &p, double T, const Material &mat, const Config &c){
double sum = 0; double sum = 0;
double w=0;
for(int i=0;i<mat.ncomponents();i++){ for(int i=0;i<mat.ncomponents();i++){
auto t= mat.get_element(i); auto t= mat.get_element(i);
w = mat.weight_fraction(i); double w = mat.weight_fraction(i);
p.T = T; p.T = T;
sum += w*dedx_variance(p,t,c); sum += w*dedx_variance(p,t,c);
} }
@ -61,11 +60,10 @@ double domega2dx(Projectile &p, double T, const Material &mat, const Config &c){
double da2dx(Projectile &p, double T, const Material &mat, const Config &c){ double da2dx(Projectile &p, double T, const Material &mat, const Config &c){
double sum = 0; double sum = 0;
double w=0;
for(int i=0;i<mat.ncomponents();i++){ for(int i=0;i<mat.ncomponents();i++){
auto t = mat.get_element(i); auto t = mat.get_element(i);
w = mat.weight_fraction(i); double w = mat.weight_fraction(i);
p.T = T; p.T = T;
sum += w*angular_scattering_variance(p,t); sum += w*angular_scattering_variance(p,t);
} }
@ -156,7 +154,6 @@ double energy_out(double T, double thickness, const Interpolator &range_spline){
double range; double range;
double dedx; double dedx;
double e,r; double e,r;
double step;
range = range_spline(T); range = range_spline(T);
dedx = 1.0/range_spline.derivative(T); dedx = 1.0/range_spline.derivative(T);
@ -166,7 +163,7 @@ double energy_out(double T, double thickness, const Interpolator &range_spline){
while(1){ while(1){
r = range - range_spline(e) - thickness; r = range - range_spline(e) - thickness;
if(fabs(r)<epsilon)return e; if(fabs(r)<epsilon)return e;
step = -r*dedx; double step = -r*dedx;
e = e-step; e = e-step;
if(e<Ezero)return 0.0; if(e<Ezero)return 0.0;
dedx = 1.0/range_spline.derivative(e); dedx = 1.0/range_spline.derivative(e);
@ -378,13 +375,13 @@ DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
return domega2dx(p,x,t,c)/catima::power(dedx(p(x),t,c),3); return domega2dx(p,x,t,c)/catima::power(dedx(p(x),t,c),3);
}; };
double res=0.0; //double res=0.0;
//calculate 1st point to have i-1 element ready for loop //calculate 1st point to have i-1 element ready for loop
//res = integrator.integrate(fdedx,Ezero,energy_table(0)); //res = integrator.integrate(fdedx,Ezero,energy_table(0));
//res = p.A*res; //res = p.A*res;
//dp.range[0] = res; //dp.range[0] = res;
dp.range[0] = 0.0;
dp.range[0] = 0.0;
dp.angular_variance[0] = 0.0; dp.angular_variance[0] = 0.0;
//res = integrator.integrate(fomega,Ezero,energy_table(0)); //res = integrator.integrate(fomega,Ezero,energy_table(0));
@ -392,7 +389,7 @@ DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
dp.range_straggling[0]=0.0; dp.range_straggling[0]=0.0;
//p.T = energy_table(0); //p.T = energy_table(0);
for(int i=1;i<max_datapoints;i++){ for(int i=1;i<max_datapoints;i++){
res = p.A*integrator.integrate(fdedx,energy_table(i-1),energy_table(i)); double res = p.A*integrator.integrate(fdedx,energy_table(i-1),energy_table(i));
dp.range[i] = res + dp.range[i-1]; dp.range[i] = res + dp.range[i-1];
res = da2dx(p,energy_table(i),t)*res; res = da2dx(p,energy_table(i),t)*res;
dp.angular_variance[i] = res + dp.angular_variance[i-1]; dp.angular_variance[i] = res + dp.angular_variance[i-1];

6
srim.cpp
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@ -82,7 +82,7 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
return se; return se;
} }
else{ // heavy ion else{ // heavy ion
double h1,h4; double h1;
double a,q,b; double a,q,b;
double l1,l0,l; double l1,l0,l;
double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0 double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0
@ -134,7 +134,7 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
i = (pZ>92)?91:pZ-1; i = (pZ>92)?91:pZ-1;
l = std::max(l1,l0*atima_lambda_screening[i]); l = std::max(l1,l0*atima_lambda_screening[i]);
h1 =4.0*l*vfermi/1.919; h1 =4.0*l*vfermi/1.919;
zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log(1. + h1*h1); zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log1p(h1*h1);
// ZP**3 EFFECT AS IN REF. 779? // ZP**3 EFFECT AS IN REF. 779?
a = 7.6 - std::max(0.0, log(e)); a = 7.6 - std::max(0.0, log(e));
zeta = zeta*(1. + (1./(pZ*pZ))*(0.18 + .0015*tZ)*exp(-a*a)); zeta = zeta*(1. + (1./(pZ*pZ))*(0.18 + .0015*tZ)*exp(-a*a));
@ -150,7 +150,7 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
else eval = 0.5; else eval = 0.5;
h1 = zeta *pZ; h1 = zeta *pZ;
h4 = std::pow(e / eee,eval); double h4 = std::pow(e / eee,eval);
se = (*fp_se)(tZ, eee*0.001) * h1*h1*h4; se = (*fp_se)(tZ, eee*0.001) * h1*h1*h4;
return se; return se;
} }