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geant4/source/global/HEPNumerics/src/G4JTPolynomialSolver.cc
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//
// G4JTPolynomialSolver class implementation.
//
// Author: Oliver Link, 15.02.2005
// Translated to C++ and adapted to use STL vectors.
// --------------------------------------------------------------------
#include "G4JTPolynomialSolver.hh"
#include "G4Pow.hh"
#include "G4SystemOfUnits.hh"
const G4double G4JTPolynomialSolver::base = 2;
const G4double G4JTPolynomialSolver::eta = DBL_EPSILON;
const G4double G4JTPolynomialSolver::infin = DBL_MAX;
const G4double G4JTPolynomialSolver::smalno = DBL_MIN;
const G4double G4JTPolynomialSolver::are = DBL_EPSILON;
const G4double G4JTPolynomialSolver::mre = DBL_EPSILON;
const G4double G4JTPolynomialSolver::lo = DBL_MIN / DBL_EPSILON;
G4JTPolynomialSolver::G4JTPolynomialSolver() {}
G4JTPolynomialSolver::~G4JTPolynomialSolver() {}
G4int G4JTPolynomialSolver::FindRoots(G4double* op, G4int degr, G4double* zeror,
G4double* zeroi)
{
G4double t = 0.0, aa = 0.0, bb = 0.0, cc = 0.0, factor = 1.0;
G4double max = 0.0, min = infin, xxx = 0.0, x = 0.0, sc = 0.0, bnd = 0.0;
G4double xm = 0.0, ff = 0.0, df = 0.0, dx = 0.0;
G4int cnt = 0, nz = 0, i = 0, j = 0, jj = 0, l = 0, nm1 = 0, zerok = 0;
G4Pow* power = G4Pow::GetInstance();
// Initialization of constants for shift rotation.
//
static const G4double xx = std::sqrt(0.5);
static const G4double rot = 94.0 * deg;
static const G4double cosr = std::cos(rot), sinr = std::sin(rot);
G4double xo = xx, yo = -xx;
n = degr;
// Algorithm fails if the leading coefficient is zero.
//
if(!(op[0] != 0.0))
{
return -1;
}
// Remove the zeros at the origin, if any.
//
while(!(op[n] != 0.0))
{
j = degr - n;
zeror[j] = 0.0;
zeroi[j] = 0.0;
n--;
}
if(n < 1)
{
return -1;
}
// Allocate buffers here
//
std::vector<G4double> temp(degr + 1);
std::vector<G4double> pt(degr + 1);
p.assign(degr + 1, 0);
qp.assign(degr + 1, 0);
k.assign(degr + 1, 0);
qk.assign(degr + 1, 0);
svk.assign(degr + 1, 0);
// Make a copy of the coefficients.
//
for(i = 0; i <= n; ++i)
{
p[i] = op[i];
}
do
{
if(n == 1) // Start the algorithm for one zero.
{
zeror[degr - 1] = -p[1] / p[0];
zeroi[degr - 1] = 0.0;
n -= 1;
return degr - n;
}
if(n == 2) // Calculate the final zero or pair of zeros.
{
Quadratic(p[0], p[1], p[2], &zeror[degr - 2], &zeroi[degr - 2],
&zeror[degr - 1], &zeroi[degr - 1]);
n -= 2;
return degr - n;
}
// Find largest and smallest moduli of coefficients.
//
max = 0.0;
min = infin;
for(i = 0; i <= n; ++i)
{
x = std::fabs(p[i]);
if(x > max)
{
max = x;
}
if(x != 0.0 && x < min)
{
min = x;
}
}
// Scale if there are large or very small coefficients.
// Computes a scale factor to multiply the coefficients of the
// polynomial. The scaling is done to avoid overflow and to
// avoid undetected underflow interfering with the convergence
// criterion. The factor is a power of the base.
//
sc = lo / min;
if(((sc <= 1.0) && (max >= 10.0)) || ((sc > 1.0) && (infin / sc >= max)) ||
((infin / sc >= max) && (max >= 10)))
{
if(!(sc != 0.0))
{
sc = smalno;
}
l = (G4int)(G4Log(sc) / G4Log(base) + 0.5);
factor = power->powN(base, l);
if(factor != 1.0)
{
for(i = 0; i <= n; ++i)
{
p[i] = factor * p[i];
} // Scale polynomial.
}
}
// Compute lower bound on moduli of roots.
//
for(i = 0; i <= n; ++i)
{
pt[i] = (std::fabs(p[i]));
}
pt[n] = -pt[n];
// Compute upper estimate of bound.
//
x = G4Exp((G4Log(-pt[n]) - G4Log(pt[0])) / (G4double) n);
// If Newton step at the origin is better, use it.
//
if(pt[n - 1] != 0.0)
{
xm = -pt[n] / pt[n - 1];
if(xm < x)
{
x = xm;
}
}
// Chop the interval (0,x) until ff <= 0
//
while(1)
{
xm = x * 0.1;
ff = pt[0];
for(i = 1; i <= n; ++i)
{
ff = ff * xm + pt[i];
}
if(ff <= 0.0)
{
break;
}
x = xm;
}
dx = x;
// Do Newton interation until x converges to two decimal places.
//
while(std::fabs(dx / x) > 0.005)
{
ff = pt[0];
df = ff;
for(i = 1; i < n; ++i)
{
ff = ff * x + pt[i];
df = df * x + ff;
}
ff = ff * x + pt[n];
dx = ff / df;
x -= dx;
}
bnd = x;
// Compute the derivative as the initial k polynomial
// and do 5 steps with no shift.
//
nm1 = n - 1;
for(i = 1; i < n; ++i)
{
k[i] = (G4double)(n - i) * p[i] / (G4double) n;
}
k[0] = p[0];
aa = p[n];
bb = p[n - 1];
zerok = (k[n - 1] == 0);
for(jj = 0; jj < 5; ++jj)
{
cc = k[n - 1];
if(!zerok) // Use a scaled form of recurrence if k at 0 is nonzero.
{
// Use a scaled form of recurrence if value of k at 0 is nonzero.
//
t = -aa / cc;
for(i = 0; i < nm1; ++i)
{
j = n - i - 1;
k[j] = t * k[j - 1] + p[j];
}
k[0] = p[0];
zerok = (std::fabs(k[n - 1]) <= std::fabs(bb) * eta * 10.0);
}
else // Use unscaled form of recurrence.
{
for(i = 0; i < nm1; ++i)
{
j = n - i - 1;
k[j] = k[j - 1];
}
k[0] = 0.0;
zerok = (!(k[n - 1] != 0.0));
}
}
// Save k for restarts with new shifts.
//
for(i = 0; i < n; ++i)
{
temp[i] = k[i];
}
// Loop to select the quadratic corresponding to each new shift.
//
for(cnt = 0; cnt < 20; ++cnt)
{
// Quadratic corresponds to a double shift to a
// non-real point and its complex conjugate. The point
// has modulus bnd and amplitude rotated by 94 degrees
// from the previous shift.
//
xxx = cosr * xo - sinr * yo;
yo = sinr * xo + cosr * yo;
xo = xxx;
sr = bnd * xo;
si = bnd * yo;
u = -2.0 * sr;
v = bnd;
ComputeFixedShiftPolynomial(20 * (cnt + 1), &nz);
if(nz != 0)
{
// The second stage jumps directly to one of the third
// stage iterations and returns here if successful.
// Deflate the polynomial, store the zero or zeros and
// return to the main algorithm.
//
j = degr - n;
zeror[j] = szr;
zeroi[j] = szi;
n -= nz;
for(i = 0; i <= n; ++i)
{
p[i] = qp[i];
}
if(nz != 1)
{
zeror[j + 1] = lzr;
zeroi[j + 1] = lzi;
}
break;
}
else
{
// If the iteration is unsuccessful another quadratic
// is chosen after restoring k.
//
for(i = 0; i < n; ++i)
{
k[i] = temp[i];
}
}
}
} while(nz != 0); // End of initial DO loop
// Return with failure if no convergence with 20 shifts.
//
return degr - n;
}
void G4JTPolynomialSolver::ComputeFixedShiftPolynomial(G4int l2, G4int* nz)
{
// Computes up to L2 fixed shift k-polynomials, testing for convergence
// in the linear or quadratic case. Initiates one of the variable shift
// iterations and returns with the number of zeros found.
G4double svu = 0.0, svv = 0.0, ui = 0.0, vi = 0.0, xs = 0.0;
G4double betas = 0.25, betav = 0.25, oss = sr, ovv = v, ss = 0.0, vv = 0.0,
ts = 1.0, tv = 1.0;
G4double ots = 0.0, otv = 0.0;
G4double tvv = 1.0, tss = 1.0;
G4int type = 0, i = 0, j = 0, iflag = 0, vpass = 0, spass = 0, vtry = 0,
stry = 0;
*nz = 0;
// Evaluate polynomial by synthetic division.
//
QuadraticSyntheticDivision(n, &u, &v, p, qp, &a, &b);
ComputeScalarFactors(&type);
for(j = 0; j < l2; ++j)
{
// Calculate next k polynomial and estimate v.
//
ComputeNextPolynomial(&type);
ComputeScalarFactors(&type);
ComputeNewEstimate(type, &ui, &vi);
vv = vi;
// Estimate xs.
//
ss = 0.0;
if(k[n - 1] != 0.0)
{
ss = -p[n] / k[n - 1];
}
tv = 1.0;
ts = 1.0;
if(j == 0 || type == 3)
{
ovv = vv;
oss = ss;
otv = tv;
ots = ts;
continue;
}
// Compute relative measures of convergence of xs and v sequences.
//
if(vv != 0.0)
{
tv = std::fabs((vv - ovv) / vv);
}
if(ss != 0.0)
{
ts = std::fabs((ss - oss) / ss);
}
// If decreasing, multiply two most recent convergence measures.
tvv = 1.0;
if(tv < otv)
{
tvv = tv * otv;
}
tss = 1.0;
if(ts < ots)
{
tss = ts * ots;
}
// Compare with convergence criteria.
vpass = (tvv < betav);
spass = (tss < betas);
if(!(spass || vpass))
{
ovv = vv;
oss = ss;
otv = tv;
ots = ts;
continue;
}
// At least one sequence has passed the convergence test.
// Store variables before iterating.
//
svu = u;
svv = v;
for(i = 0; i < n; ++i)
{
svk[i] = k[i];
}
xs = ss;
// Choose iteration according to the fastest converging sequence.
//
vtry = 0;
stry = 0;
if((spass && (!vpass)) || (tss < tvv))
{
RealPolynomialIteration(&xs, nz, &iflag);
if(*nz > 0)
{
return;
}
// Linear iteration has failed. Flag that it has been
// tried and decrease the convergence criterion.
//
stry = 1;
betas *= 0.25;
if(iflag == 0)
{
goto _restore_variables;
}
// If linear iteration signals an almost double real
// zero attempt quadratic iteration.
//
ui = -(xs + xs);
vi = xs * xs;
}
_quadratic_iteration:
do
{
QuadraticPolynomialIteration(&ui, &vi, nz);
if(*nz > 0)
{
return;
}
// Quadratic iteration has failed. Flag that it has
// been tried and decrease the convergence criterion.
//
vtry = 1;
betav *= 0.25;
// Try linear iteration if it has not been tried and
// the S sequence is converging.
//
if(stry || !spass)
{
break;
}
for(i = 0; i < n; ++i)
{
k[i] = svk[i];
}
RealPolynomialIteration(&xs, nz, &iflag);
if(*nz > 0)
{
return;
}
// Linear iteration has failed. Flag that it has been
// tried and decrease the convergence criterion.
//
stry = 1;
betas *= 0.25;
if(iflag == 0)
{
break;
}
// If linear iteration signals an almost double real
// zero attempt quadratic iteration.
//
ui = -(xs + xs);
vi = xs * xs;
} while(iflag != 0);
// Restore variables.
_restore_variables:
u = svu;
v = svv;
for(i = 0; i < n; ++i)
{
k[i] = svk[i];
}
// Try quadratic iteration if it has not been tried
// and the V sequence is converging.
//
if(vpass && !vtry)
{
goto _quadratic_iteration;
}
// Recompute QP and scalar values to continue the
// second stage.
//
QuadraticSyntheticDivision(n, &u, &v, p, qp, &a, &b);
ComputeScalarFactors(&type);
ovv = vv;
oss = ss;
otv = tv;
ots = ts;
}
}
void G4JTPolynomialSolver::QuadraticPolynomialIteration(G4double* uu,
G4double* vv, G4int* nz)
{
// Variable-shift k-polynomial iteration for a
// quadratic factor converges only if the zeros are
// equimodular or nearly so.
// uu, vv - coefficients of starting quadratic.
// nz - number of zeros found.
//
G4double ui = 0.0, vi = 0.0;
G4double omp = 0.0;
G4double relstp = 0.0;
G4double mp = 0.0, ee = 0.0, t = 0.0, zm = 0.0;
G4int type = 0, i = 1, j = 0, tried = 0;
*nz = 0;
tried = 0;
u = *uu;
v = *vv;
// Main loop.
while(1)
{
Quadratic(1.0, u, v, &szr, &szi, &lzr, &lzi);
// Return if roots of the quadratic are real and not
// close to multiple or nearly equal and of opposite
// sign.
//
if(std::fabs(std::fabs(szr) - std::fabs(lzr)) > 0.01 * std::fabs(lzr))
{
return;
}
// Evaluate polynomial by quadratic synthetic division.
//
QuadraticSyntheticDivision(n, &u, &v, p, qp, &a, &b);
mp = std::fabs(a - szr * b) + std::fabs(szi * b);
// Compute a rigorous bound on the rounding error in evaluating p.
//
zm = std::sqrt(std::fabs(v));
ee = 2.0 * std::fabs(qp[0]);
t = -szr * b;
for(i = 1; i < n; ++i)
{
ee = ee * zm + std::fabs(qp[i]);
}
ee = ee * zm + std::fabs(a + t);
ee *= (5.0 * mre + 4.0 * are);
ee = ee - (5.0 * mre + 2.0 * are) * (std::fabs(a + t) + std::fabs(b) * zm) +
2.0 * are * std::fabs(t);
// Iteration has converged sufficiently if the
// polynomial value is less than 20 times this bound.
//
if(mp <= 20.0 * ee)
{
*nz = 2;
return;
}
j++;
// Stop iteration after 20 steps.
//
if(j > 20)
{
return;
}
if(j >= 2)
{
if(!(relstp > 0.01 || mp < omp || tried))
{
// A cluster appears to be stalling the convergence.
// Five fixed shift steps are taken with a u,v close to the cluster.
//
if(relstp < eta)
{
relstp = eta;
}
relstp = std::sqrt(relstp);
u = u - u * relstp;
v = v + v * relstp;
QuadraticSyntheticDivision(n, &u, &v, p, qp, &a, &b);
for(i = 0; i < 5; ++i)
{
ComputeScalarFactors(&type);
ComputeNextPolynomial(&type);
}
tried = 1;
j = 0;
}
}
omp = mp;
// Calculate next k polynomial and new u and v.
//
ComputeScalarFactors(&type);
ComputeNextPolynomial(&type);
ComputeScalarFactors(&type);
ComputeNewEstimate(type, &ui, &vi);
// If vi is zero the iteration is not converging.
//
if(!(vi != 0.0))
{
return;
}
relstp = std::fabs((vi - v) / vi);
u = ui;
v = vi;
}
}
void G4JTPolynomialSolver::RealPolynomialIteration(G4double* sss, G4int* nz,
G4int* iflag)
{
// Variable-shift H polynomial iteration for a real zero.
// sss - starting iterate
// nz - number of zeros found
// iflag - flag to indicate a pair of zeros near real axis.
G4double t = 0.;
G4double omp = 0.;
G4double pv = 0.0, kv = 0.0, xs = *sss;
G4double mx = 0.0, mp = 0.0, ee = 0.0;
G4int i = 1, j = 0;
*nz = 0;
*iflag = 0;
// Main loop
//
while(1)
{
pv = p[0];
// Evaluate p at xs.
//
qp[0] = pv;
for(i = 1; i <= n; ++i)
{
pv = pv * xs + p[i];
qp[i] = pv;
}
mp = std::fabs(pv);
// Compute a rigorous bound on the error in evaluating p.
//
mx = std::fabs(xs);
ee = (mre / (are + mre)) * std::fabs(qp[0]);
for(i = 1; i <= n; ++i)
{
ee = ee * mx + std::fabs(qp[i]);
}
// Iteration has converged sufficiently if the polynomial
// value is less than 20 times this bound.
//
if(mp <= 20.0 * ((are + mre) * ee - mre * mp))
{
*nz = 1;
szr = xs;
szi = 0.0;
return;
}
j++;
// Stop iteration after 10 steps.
//
if(j > 10)
{
return;
}
if(j >= 2)
{
if(!(std::fabs(t) > 0.001 * std::fabs(xs - t) || mp < omp))
{
// A cluster of zeros near the real axis has been encountered.
// Return with iflag set to initiate a quadratic iteration.
//
*iflag = 1;
*sss = xs;
return;
} // Return if the polynomial value has increased significantly.
}
omp = mp;
// Compute t, the next polynomial, and the new iterate.
//
kv = k[0];
qk[0] = kv;
for(i = 1; i < n; ++i)
{
kv = kv * xs + k[i];
qk[i] = kv;
}
if(std::fabs(kv) <= std::fabs(k[n - 1]) * 10.0 * eta) // Use unscaled form.
{
k[0] = 0.0;
for(i = 1; i < n; ++i)
{
k[i] = qk[i - 1];
}
}
else // Use the scaled form of the recurrence if k at xs is nonzero.
{
t = -pv / kv;
k[0] = qp[0];
for(i = 1; i < n; ++i)
{
k[i] = t * qk[i - 1] + qp[i];
}
}
kv = k[0];
for(i = 1; i < n; ++i)
{
kv = kv * xs + k[i];
}
t = 0.0;
if(std::fabs(kv) > std::fabs(k[n - 1] * 10.0 * eta))
{
t = -pv / kv;
}
xs += t;
}
}
void G4JTPolynomialSolver::ComputeScalarFactors(G4int* type)
{
// This function calculates scalar quantities used to
// compute the next k polynomial and new estimates of
// the quadratic coefficients.
// type - integer variable set here indicating how the
// calculations are normalized to avoid overflow.
// Synthetic division of k by the quadratic 1,u,v
//
QuadraticSyntheticDivision(n - 1, &u, &v, k, qk, &c, &d);
if(std::fabs(c) <= std::fabs(k[n - 1] * 100.0 * eta))
{
if(std::fabs(d) <= std::fabs(k[n - 2] * 100.0 * eta))
{
*type = 3; // Type=3 indicates the quadratic is almost a factor of k.
return;
}
}
if(std::fabs(d) < std::fabs(c))
{
*type = 1; // Type=1 indicates that all formulas are divided by c.
e = a / c;
f = d / c;
g = u * e;
h = v * b;
a3 = a * e + (h / c + g) * b;
a1 = b - a * (d / c);
a7 = a + g * d + h * f;
return;
}
*type = 2; // Type=2 indicates that all formulas are divided by d.
e = a / d;
f = c / d;
g = u * b;
h = v * b;
a3 = (a + g) * e + h * (b / d);
a1 = b * f - a;
a7 = (f + u) * a + h;
}
void G4JTPolynomialSolver::ComputeNextPolynomial(G4int* type)
{
// Computes the next k polynomials using scalars
// computed in ComputeScalarFactors.
G4int i = 2;
if(*type == 3) // Use unscaled form of the recurrence if type is 3.
{
k[0] = 0.0;
k[1] = 0.0;
for(i = 2; i < n; ++i)
{
k[i] = qk[i - 2];
}
return;
}
G4double temp = a;
if(*type == 1)
{
temp = b;
}
if(std::fabs(a1) <= std::fabs(temp) * eta * 10.0)
{
// If a1 is nearly zero then use a special form of the recurrence.
//
k[0] = 0.0;
k[1] = -a7 * qp[0];
for(i = 2; i < n; ++i)
{
k[i] = a3 * qk[i - 2] - a7 * qp[i - 1];
}
return;
}
// Use scaled form of the recurrence.
//
a7 /= a1;
a3 /= a1;
k[0] = qp[0];
k[1] = qp[1] - a7 * qp[0];
for(i = 2; i < n; ++i)
{
k[i] = a3 * qk[i - 2] - a7 * qp[i - 1] + qp[i];
}
}
void G4JTPolynomialSolver::ComputeNewEstimate(G4int type, G4double* uu,
G4double* vv)
{
// Compute new estimates of the quadratic coefficients
// using the scalars computed in calcsc.
G4double a4 = 0.0, a5 = 0.0, b1 = 0.0, b2 = 0.0, c1 = 0.0, c2 = 0.0, c3 = 0.0,
c4 = 0.0, temp = 0.0;
// Use formulas appropriate to setting of type.
//
if(type == 3) // If type=3 the quadratic is zeroed.
{
*uu = 0.0;
*vv = 0.0;
return;
}
if(type == 2)
{
a4 = (a + g) * f + h;
a5 = (f + u) * c + v * d;
}
else
{
a4 = a + u * b + h * f;
a5 = c + (u + v * f) * d;
}
// Evaluate new quadratic coefficients.
//
b1 = -k[n - 1] / p[n];
b2 = -(k[n - 2] + b1 * p[n - 1]) / p[n];
c1 = v * b2 * a1;
c2 = b1 * a7;
c3 = b1 * b1 * a3;
c4 = c1 - c2 - c3;
temp = a5 + b1 * a4 - c4;
if(!(temp != 0.0))
{
*uu = 0.0;
*vv = 0.0;
return;
}
*uu = u - (u * (c3 + c2) + v * (b1 * a1 + b2 * a7)) / temp;
*vv = v * (1.0 + c4 / temp);
return;
}
void G4JTPolynomialSolver::QuadraticSyntheticDivision(
G4int nn, G4double* uu, G4double* vv, std::vector<G4double>& pp,
std::vector<G4double>& qq, G4double* aa, G4double* bb)
{
// Divides pp by the quadratic 1,uu,vv placing the quotient
// in qq and the remainder in aa,bb.
G4double cc = 0.0;
*bb = pp[0];
qq[0] = *bb;
*aa = pp[1] - (*bb) * (*uu);
qq[1] = *aa;
for(G4int i = 2; i <= nn; ++i)
{
cc = pp[i] - (*aa) * (*uu) - (*bb) * (*vv);
qq[i] = cc;
*bb = *aa;
*aa = cc;
}
}
void G4JTPolynomialSolver::Quadratic(G4double aa, G4double b1, G4double cc,
G4double* ssr, G4double* ssi, G4double* lr,
G4double* li)
{
// Calculate the zeros of the quadratic aa*z^2 + b1*z + cc.
// The quadratic formula, modified to avoid overflow, is used
// to find the larger zero if the zeros are real and both
// are complex. The smaller real zero is found directly from
// the product of the zeros c/a.
G4double bb = 0.0, dd = 0.0, ee = 0.0;
if(!(aa != 0.0)) // less than two roots
{
if(b1 != 0.0)
{
*ssr = -cc / b1;
}
else
{
*ssr = 0.0;
}
*lr = 0.0;
*ssi = 0.0;
*li = 0.0;
return;
}
if(!(cc != 0.0)) // one real root, one zero root
{
*ssr = 0.0;
*lr = -b1 / aa;
*ssi = 0.0;
*li = 0.0;
return;
}
// Compute discriminant avoiding overflow.
//
bb = b1 / 2.0;
if(std::fabs(bb) < std::fabs(cc))
{
if(cc < 0.0)
{
ee = -aa;
}
else
{
ee = aa;
}
ee = bb * (bb / std::fabs(cc)) - ee;
dd = std::sqrt(std::fabs(ee)) * std::sqrt(std::fabs(cc));
}
else
{
ee = 1.0 - (aa / bb) * (cc / bb);
dd = std::sqrt(std::fabs(ee)) * std::fabs(bb);
}
if(ee < 0.0) // complex conjugate zeros
{
*ssr = -bb / aa;
*lr = *ssr;
*ssi = std::fabs(dd / aa);
*li = -(*ssi);
}
else
{
if(bb >= 0.0) // real zeros.
{
dd = -dd;
}
*lr = (-bb + dd) / aa;
*ssr = 0.0;
if(*lr != 0.0)
{
*ssr = (cc / *lr) / aa;
}
*ssi = 0.0;
*li = 0.0;
}
}