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https://github.com/gwm17/catima.git
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u3
This commit is contained in:
hrosiak
parent
fed6d9f57d
commit
a727b3f93d
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@ -532,10 +532,6 @@ double precalculated_lindhard(const Projectile &p){
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double da = (p.A - element_atomic_weight(z))/element_atomic_weight(z);
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z = z-1;
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//catima::Interpolator ls_a(ls_coefficients::ls_energy_points,ls_coefficients::ls_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
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//catima::Interpolator ls_ahi(ls_coefficients::ls_energy_points,ls_coefficients::ls_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
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//catima::Interpolator ls_a(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::cspline);
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//catima::Interpolator ls_ahi(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::cspline);
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double v1 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_coefficients_a[z]);
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double v2 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_coefficients_ahi[z]);
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@ -551,13 +547,10 @@ double precalculated_lindhard_X(const Projectile &p){
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int z = (int)p.Z ;
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if(z>LS_MAX_Z)z=LS_MAX_Z;
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//if(p.T<ls_coefficients::ls_energy_table(0))T=ls_coefficients::ls_energy_table(0);
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if(p.T<ls_coefficients::ls_energy_table(0))
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return 1.0;
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if(p.T<ls_coefficients::ls_energy_table(0))return 1.0;
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double da = (p.A - element_atomic_weight(z))/element_atomic_weight(z);
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z = z-1;
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//catima::Interpolator ls_X_a(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_X_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
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//catima::Interpolator ls_X_ahi(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_X_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
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double v1 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_X_coefficients_a[z]);
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double v2 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_X_coefficients_ahi[z]);
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@ -371,7 +371,6 @@ DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
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return 1.0/dedx(p(x),t,c);
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};
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auto fomega = [&](double x)->double{
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//return 1.0*domega2dx(p,x,t)/pow(dedx(p(x),t,c),3);
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return domega2dx(p,x,t,c)/catima::power(dedx(p(x),t,c),3);
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};
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@ -120,6 +120,13 @@ PYBIND11_MODULE(pycatima,m){
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//.def_readwrite("T", &Projectile::T)
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//.def_readwrite("Q", &Projectile::Q);
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py::class_<Target>(m,"Target")
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.def(py::init<>(),"constructor")
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.def_readwrite("A",&Target::A)
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.def_readwrite("Z",&Target::Z)
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.def_readwrite("stn",&Target::stn);
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py::class_<Material>(m,"Material")
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.def(py::init<>(),"constructor")
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.def(py::init<const Material&>(),"constructor")
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@ -210,7 +217,7 @@ PYBIND11_MODULE(pycatima,m){
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.value("hubert", z_eff_type::hubert)
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.value("winger", z_eff_type::winger)
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.value("schiwietz", z_eff_type::schiwietz)
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.value("global", z_eff_type::global)
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.value("cglobal", z_eff_type::global)
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.value("atima14", z_eff_type::atima14);
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py::enum_<corrections>(m,"corrections")
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@ -295,6 +302,7 @@ PYBIND11_MODULE(pycatima,m){
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m.def("storage_info",&storage_info);
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m.def("get_energy_table",&get_energy_table);
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m.def("energy_table",[](int i){return energy_table(i);});
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m.def("z_effective",&z_effective);
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m.attr("max_datapoints") = max_datapoints;
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m.attr("max_storage_data") = max_storage_data;
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m.attr("logEmin")=logEmin;
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169
srim.cpp
169
srim.cpp
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@ -7,7 +7,7 @@ namespace catima{
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* @param Z - proton number of material
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* @param energy - energy per nuclein in MeV/u
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*/
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double p_se(int Z, double energy){
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double sp = -1;
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double e = 1000*energy; //e in keV/u
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@ -23,7 +23,7 @@ double p_se(int Z, double energy){
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if(e<=25){
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sp *=(Z>6)?std::pow(e/25.0,0.45):std::pow(e/25.0,0.25);
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}
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return sp;
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};
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/**
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@ -46,12 +46,12 @@ double p_se85(int Z, double energy){
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if(e<=25){
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sp *=(Z>6)?std::pow(e/25.0,0.45):std::pow(e/25.0,0.25);
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}
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return sp;
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};
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/**
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* return srim stopping power
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* return srim stopping power
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* @param pZ - projectile Z
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* @param pZ - material Z
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* @param energy - projectile energy in MeV/u unit
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@ -67,7 +67,7 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
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else if(pZ == 2){
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double a=0;
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double b=0;
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if(e<=1)e=1;
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// He Zeff
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b = log(e);
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@ -82,7 +82,6 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
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return se;
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}
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else{ // heavy ion
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double h1;
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double a,q,b;
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double l1,l0,l;
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double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0
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@ -93,31 +92,30 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
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double zeta = 0;
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double se;
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int i;
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double pZ13_inv = 1.0/std::pow(pZ,1.0/3.0);
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double pZ23_inv = pZ13_inv*pZ13_inv;
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i = tZ - 1;
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if(tZ>92){
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i = 91;
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}
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vfermi = atima_vfermi[i];
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v = sqrt(e/25.0)/vfermi;
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double v2=v*v;
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double vr = (v >= 1)? v*vfermi*(1.+ 1./(5.*v2)) : 3.0*vfermi/4.0*(1.0+v2*(2.0/3.0-v2/15.0));
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h1= 1./std::pow(pZ,0.6667);
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yr = std::max(YRmin,vr*h1);
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yr = std::max(yr, VRmin*h1);
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double vr = (v >= 1)? v*vfermi*(1.+ 0.2/v2) : 3.0*vfermi/4.0*(1.0+v2*(2.0/3.0-v2/15.0));
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yr = std::max(YRmin,vr * pZ23_inv);
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yr = std::max(yr,VRmin * pZ23_inv);
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//-- CALCULATE ZEFF
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a = -0.803*std::pow(yr,0.3) + 1.3167*std::pow(yr,0.6) + 0.38157*yr + 0.008983*yr*yr;
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q = std::min(1.0, std::max(0.0 , (1.0 - exp(-std::min(a, 50.0))))); //-- Q = IONIZATION LEVEL OF THE ION AT RELATIVE VELOCITY YR
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//-- IONIZATION LEVEL TO EFFECTIVE CHARGE
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h1 = 1./ std::pow(pZ,0.3333);
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b = (std::min(0.43, std::max(0.32,0.12 + 0.025*pZ)))*h1;
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l0 = (.8 - q * std::min(1.2,0.6 +pZ/30.0))*h1;
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b = (std::min(0.43, std::max(0.32,0.12 + 0.025*pZ)))*pZ13_inv;
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l0 = (.8 - q * std::min(1.2,0.6 +pZ/30.0))*pZ13_inv;
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if(q < 0.2){
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l1 = 0;
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}
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@ -133,14 +131,14 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
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// calculate screening
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i = (pZ>92)?91:pZ-1;
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l = std::max(l1,l0*atima_lambda_screening[i]);
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h1 =4.0*l*vfermi/1.919;
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zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log1p(h1*h1);
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double h1 =4.0*l*vfermi/1.919;
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zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log1p(h1*h1);
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// ZP**3 EFFECT AS IN REF. 779?
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a = 7.6 - std::max(0.0, log(e));
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zeta = zeta*(1. + (1./(pZ*pZ))*(0.18 + .0015*tZ)*exp(-a*a));
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h1= 1./std::pow(pZ,0.6667);
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if (yr <= ( std::max(YRmin, VRmin*h1))){
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VRmin=std::max(VRmin, YRmin/h1);
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double c1 = zeta *pZ;
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if (yr <= ( std::max(YRmin, VRmin * pZ23_inv))){
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VRmin=std::max(VRmin, YRmin/pZ23_inv);
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//--C ..CALCULATE VELOCITY STOPPING FOR YR < YRmin
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double vmin =.5*(VRmin + sqrt(std::max(0.0,VRmin*VRmin - .8*vfermi*vfermi)));
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double eee = 25.0*vmin*vmin;
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@ -148,14 +146,13 @@ double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
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// if((tZ == 6) || (((tZ == 14) || (tZ == 32)) && (pZ <= 19))) eval = 0.375;
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if((tZ == 6) || (((tZ == 14) || (tZ == 32)) && (pZ <= 19))) eval = 0.35;
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else eval = 0.5;
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h1 = zeta *pZ;
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double h4 = std::pow(e / eee,eval);
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se = (*fp_se)(tZ, eee*0.001) * h1*h1*h4;
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se = (*fp_se)(tZ, eee*0.001) * c1*c1*h4;
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return se;
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}
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else {
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return (*fp_se)(tZ,energy)*std::pow(zeta*pZ,2.0);
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return (*fp_se)(tZ,energy)*std::pow(c1,2.0);
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}
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return 0;
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}
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@ -390,36 +387,36 @@ const double atima_lambda_screening[92]= {
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0.96,
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0.93,
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0.91,
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0.9,
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0.9,
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0.88,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.85,
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0.9,
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0.9,
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0.9,
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0.9,
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0.91,
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0.92,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.88,
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0.9,
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0.9,
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0.88,
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0.88,
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0.9,
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0.9,
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0.9,
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0.9,
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0.88,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.9,
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0.96,
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1.2,
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0.9,
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1.2,
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0.9,
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0.88,
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0.88,
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0.85,
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@ -556,16 +553,16 @@ const double proton_stopping_coef[92][8] = { // proton in material stopping coef
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};
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const double atima_vfermi[92] = {
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1.0309,
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1.0309,
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0.15976,
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0.59782,
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1.0781,
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1.0486,
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1.00,
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1.058,
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1.0781,
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1.0486,
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1.00,
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1.058,
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0.93942,
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0.74562,
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0.3424,
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0.3424,
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0.45259,
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0.71074,
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0.90519,
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@ -577,48 +574,48 @@ const double atima_vfermi[92] = {
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0.36552,
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0.62712,
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0.81707,
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0.9943,
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1.1423,
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1.2381,
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1.1222,
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0.9943,
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1.1423,
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1.2381,
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1.1222,
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0.92705,
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1.0047,
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1.2,
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1.0661,
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1.0047,
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1.2,
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1.0661,
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0.97411,
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0.84912,
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0.95,
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1.0903,
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1.0429,
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0.95,
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1.0903,
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1.0429,
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0.49715,
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0.37755,
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0.35211,
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0.57801,
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0.77773,
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1.0207,
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1.029,
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1.2542,
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1.122,
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1.1241,
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1.0882,
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1.2709,
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1.2542,
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1.0207,
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1.029,
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1.2542,
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1.122,
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1.1241,
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1.0882,
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1.2709,
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1.2542,
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0.90094,
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0.74093,
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0.86054,
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0.93155,
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1.0047,
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1.0047,
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0.55379,
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0.43289,
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0.32636,
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0.5131,
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0.6950,
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0.5131,
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0.6950,
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0.72591,
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0.71202,
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0.67413,
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0.71418,
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0.71453,
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0.5911,
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0.5911,
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0.70263,
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0.68049,
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0.68203,
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@ -628,13 +625,13 @@ const double atima_vfermi[92] = {
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0.61884,
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0.71801,
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0.83048,
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1.1222,
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1.2381,
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1.045,
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1.0733,
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1.0953,
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1.2381,
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1.2879,
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1.1222,
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1.2381,
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1.045,
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1.0733,
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1.0953,
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1.2381,
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1.2879,
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0.78654,
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0.66401,
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0.84912,
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@ -646,7 +643,7 @@ const double atima_vfermi[92] = {
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0.51464,
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0.73087,
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0.81065,
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1.9578,
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1.9578,
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1.0257};
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} // namespace catima
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