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geant4/source/global/HEPNumerics/src/G4JTPolynomialSolver.cc
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2018-12-07 15:15:39 +01:00

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//
// ********************************************************************
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// * *
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// * conditions of the Geant4 Software License, included in the file *
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// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
//
// --------------------------------------------------------------------
// GEANT 4 class source file
//
// G4JTPolynomialSolver
//
// Implementation based on Jenkins-Traub algorithm.
// --------------------------------------------------------------------
#include "G4JTPolynomialSolver.hh"
#include "G4SystemOfUnits.hh"
#include "G4Pow.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()
: sr(0.), si(0.), u(0.),v(0.),
a(0.), b(0.), c(0.), d(0.),
a1(0.), a3(0.), a7(0.),
e(0.), f(0.), g(0.), h(0.),
szr(0.), szi(0.), lzr(0.), lzi(0.),
n(0)
{
}
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;
}
}