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jiri
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492
matexp.h
492
matexp.h
@ -309,498 +309,6 @@ return result;
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#ifdef EXPOKIT
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//this comes from dgexpv from expokit, it had to be translated to C to make a template
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// dgexpv.f -- translated by f2c (version 20030320).
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static double dipow(double x,int i)
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{
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double y=1.0;
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if(x==0.0)
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{
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if(i>0) return(0.0);
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if(i==0) laerror("dipow: 0^0");
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return(1./x);
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}
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if(i) {
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if(i<0) {i= -i; x= 1.0/x;}
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do
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{
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if(i&1) y *= x;
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x *= x;
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}
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while((i >>= 1)/*!=0*/);
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}
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return(y);
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}
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static int nint(double x)
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{
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int sgn= x>=0 ? 1 : -1;
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return sgn * (int)(abs(x)+.5);
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}
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#ifdef FORTRAN_
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#define FORNAME(x) x##_
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#else
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#define FORNAME(x) x
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#endif
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extern "C" void FORNAME(dgpadm)(const int *, int *, double *, double *, int *, double *, int *, int *, int *, int *, int *);
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extern "C" void FORNAME(dnchbv)(int *, double *, double *, int *, double *, double *);
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//partial template specialization leaving still free room for generic matrix type
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template<class M>
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extern void dgexpv(const M &mat, NRVec<double> &result, const NRVec<double> &rhs, bool transpose=false, const double t=1., int mxkrylov=0, double tol=1e-14, int mxstep=1000, int mxreject=0, int ideg=6)
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{
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if(mat.nrows()!= mat.ncols()) laerror("non-square matrix in exptimes");
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int n=mat.nrows();
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int m;
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if(mxkrylov) m=mxkrylov; else m= n>100? 100: (n>1?n-1:1);
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if (m > n || m <= 0) laerror("illegal mxkrylov");
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if(result.size()!=n || rhs.size()!=n) laerror("inconsistent vector and matrix size in exptimes");
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const double *v=rhs;
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double *w=result;
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double anorm=mat.norm();
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int iflag;
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/* System generated locals */
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int i__1, i__2;
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double d__1;
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#define pow_dd(x,y) (exp(y*log(x)))
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/* Local variables */
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int ibrkflag;
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double step_min__, step_max__;
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int i__, j;
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double break_tol__;
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int k1;
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double p1, p2, p3;
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int ih, mh, iv, ns, mx;
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double xm;
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int j1v;
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double hij, sgn, eps, hj1j, sqr1, beta;
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double hump;
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int ifree, lfree;
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double t_old__;
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int iexph;
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double t_new__;
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int nexph;
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double t_now__;
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int nstep;
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double t_out__;
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int nmult;
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double vnorm;
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int nscale;
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double rndoff, t_step__, avnorm;
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int ireject;
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double err_loc__;
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int nreject, mbrkdwn;
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double tbrkdwn, s_error__, x_error__;
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/* -----Purpose----------------------------------------------------------| */
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/* --- DGEXPV computes w = exp(t*A)*v - for a General matrix A. */
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/* It does not compute the matrix exponential in isolation but */
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/* instead, it computes directly the action of the exponential */
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/* operator on the operand vector. This way of doing so allows */
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/* for addressing large sparse problems. */
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/* The method used is based on Krylov subspace projection */
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/* techniques and the matrix under consideration interacts only */
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/* via the external routine `matvec' performing the matrix-vector */
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/* product (matrix-free method). */
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/* -----Arguments--------------------------------------------------------| */
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/* n : (input) order of the principal matrix A. */
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/* m : (input) maximum size for the Krylov basis. */
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/* t : (input) time at wich the solution is needed (can be < 0). */
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/* v(n) : (input) given operand vector. */
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/* w(n) : (output) computed approximation of exp(t*A)*v. */
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/* tol : (input/output) the requested accuracy tolerance on w. */
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/* If on input tol=0.0d0 or tol is too small (tol.le.eps) */
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/* the internal value sqrt(eps) is used, and tol is set to */
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/* sqrt(eps) on output (`eps' denotes the machine epsilon). */
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/* (`Happy breakdown' is assumed if h(j+1,j) .le. anorm*tol) */
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/* anorm : (input) an approximation of some norm of A. */
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/* wsp(lwsp): (workspace) lwsp .ge. n*(m+1)+n+(m+2)^2+4*(m+2)^2+ideg+1 */
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/* +---------+-------+---------------+ */
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/* (actually, ideg=6) V H wsp for PADE */
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/* iwsp(liwsp): (workspace) liwsp .ge. m+2 */
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/* matvec : external subroutine for matrix-vector multiplication. */
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/* synopsis: matvec( x, y ) */
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/* double precision x(*), y(*) */
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/* computes: y(1:n) <- A*x(1:n) */
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/* where A is the principal matrix. */
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/* iflag : (output) exit flag. */
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/* <0 - bad input arguments */
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/* 0 - no problem */
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/* 1 - maximum number of steps reached without convergence */
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/* 2 - requested tolerance was too high */
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/* -----Accounts on the computation--------------------------------------| */
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/* Upon exit, an interested user may retrieve accounts on the */
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/* computations. They are located in wsp and iwsp as indicated below: */
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/* location mnemonic description */
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/* -----------------------------------------------------------------| */
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/* iwsp(1) = nmult, number of matrix-vector multiplications used */
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/* iwsp(2) = nexph, number of Hessenberg matrix exponential evaluated */
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/* iwsp(3) = nscale, number of repeated squaring involved in Pade */
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/* iwsp(4) = nstep, number of integration steps used up to completion */
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/* iwsp(5) = nreject, number of rejected step-sizes */
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/* iwsp(6) = ibrkflag, set to 1 if `happy breakdown' and 0 otherwise */
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/* iwsp(7) = mbrkdwn, if `happy brkdown', basis-size when it occured */
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/* -----------------------------------------------------------------| */
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/* wsp(1) = step_min, minimum step-size used during integration */
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/* wsp(2) = step_max, maximum step-size used during integration */
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/* wsp(3) = dummy */
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/* wsp(4) = dummy */
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/* wsp(5) = x_error, maximum among all local truncation errors */
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/* wsp(6) = s_error, global sum of local truncation errors */
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/* wsp(7) = tbrkdwn, if `happy breakdown', time when it occured */
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/* wsp(8) = t_now, integration domain successfully covered */
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/* wsp(9) = hump, i.e., max||exp(sA)||, s in [0,t] (or [t,0] if t<0) */
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/* wsp(10) = ||w||/||v||, scaled norm of the solution w. */
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/* -----------------------------------------------------------------| */
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/* The `hump' is a measure of the conditioning of the problem. The */
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/* matrix exponential is well-conditioned if hump = 1, whereas it is */
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/* poorly-conditioned if hump >> 1. However the solution can still be */
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/* relatively fairly accurate even when the hump is large (the hump */
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/* is an upper bound), especially when the hump and the scaled norm */
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/* of w [this is also computed and returned in wsp(10)] are of the */
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/* same order of magnitude (further details in reference below). */
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/* ----------------------------------------------------------------------| */
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/* -----The following parameters may also be adjusted herein-------------| */
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/* mxstep = 1000, . mxreject = 0, . ideg = 6, */
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/* mxstep : maximum allowable number of integration steps. */
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/* The value 0 means an infinite number of steps. */
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/* mxreject: maximum allowable number of rejections at each step. */
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/* The value 0 means an infinite number of rejections. */
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/* ideg : the Pade approximation of type (ideg,ideg) is used as */
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/* an approximation to exp(H). The value 0 switches to the */
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/* uniform rational Chebyshev approximation of type (14,14) */
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/* delta : local truncation error `safety factor' */
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/* gamma : stepsize `shrinking factor' */
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/* ----------------------------------------------------------------------| */
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/* Roger B. Sidje (rbs@maths.uq.edu.au) */
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/* EXPOKIT: Software Package for Computing Matrix Exponentials. */
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/* ACM - Transactions On Mathematical Software, 24(1):130-156, 1998 */
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/* ----------------------------------------------------------------------| */
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iflag = 0;
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i__1 = m + 2;
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int lwsp= n * (m + 2) + i__1 * i__1 * 5 + ideg + 1;
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double *wsp = new double[lwsp];
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int *iwsp = new int[m+2];
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/* Parameter adjustments */
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--w;
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--v;
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--wsp;
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--iwsp;
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/* --- initialisations ... */
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k1 = 2;
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mh = m + 2;
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iv = 1;
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ih = iv + n * (m + 1) + n;
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ifree = ih + mh * mh;
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lfree = lwsp - ifree + 1;
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ibrkflag = 0;
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mbrkdwn = m;
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nmult = 0;
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nreject = 0;
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nexph = 0;
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nscale = 0;
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t_out__ = abs(t);
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tbrkdwn = 0.;
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step_min__ = t_out__;
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step_max__ = 0.;
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nstep = 0;
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s_error__ = 0.;
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x_error__ = 0.;
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t_now__ = 0.;
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t_new__ = 0.;
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p1 = 1.3333333333333333;
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L1:
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p2 = p1 - 1.;
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p3 = p2 + p2 + p2;
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eps = (d__1 = p3 - 1., abs(d__1));
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if (eps == 0.) {
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goto L1;
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}
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if (tol <= eps) {
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tol = sqrt(eps);
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}
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rndoff = eps * anorm;
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break_tol__ = 1e-7;
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/* >>> break_tol = tol */
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/* >>> break_tol = anorm*tol */
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sgn = t>=0?1. : -1.;
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cblas_dcopy(n, &v[1], 1, &w[1], 1);
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beta = cblas_dnrm2(n, &w[1], 1);
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vnorm = beta;
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hump = beta;
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/* --- obtain the very first stepsize ... */
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sqr1 = sqrt(.1);
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xm = 1. / (double) (m);
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d__1 = (m + 1) / 2.72;
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i__1 = m + 1;
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p1 = tol * dipow(d__1, i__1) * sqrt((m + 1) * 6.28);
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d__1 = p1 / (beta * 4. * anorm);
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t_new__ = 1. / anorm * pow_dd(d__1, xm);
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d__1 = log10(t_new__) - sqr1;
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i__1 = nint(d__1) - 1;
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p1 = dipow(10., i__1);
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d__1 = t_new__ / p1 + .55;
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t_new__ = floor(d__1) * p1;
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/* --- step-by-step integration ... */
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L100:
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if (t_now__ >= t_out__) {
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goto L500;
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}
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++nstep;
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/* Computing MIN */
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d__1 = t_out__ - t_now__;
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t_step__ = min(d__1,t_new__);
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p1 = 1. / beta;
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i__1 = n;
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for (i__ = 1; i__ <= i__1; ++i__) {
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wsp[iv + i__ - 1] = p1 * w[i__];
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}
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i__1 = mh * mh;
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for (i__ = 1; i__ <= i__1; ++i__) {
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wsp[ih + i__ - 1] = 0.;
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}
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/* --- Arnoldi loop ... */
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j1v = iv + n;
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i__1 = m;
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for (j = 1; j <= i__1; ++j) {
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++nmult;
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{
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NRVec<double> res(&wsp[j1v],n,true);
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NRVec<double> rhs(&wsp[j1v - n],n,true);
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mat.gemv(0.,res,transpose?'t':'n',1.,rhs);
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}
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i__2 = j;
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for (i__ = 1; i__ <= i__2; ++i__) {
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hij = cblas_ddot(n, &wsp[iv + (i__ - 1) * n], 1, &wsp[j1v], 1);
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d__1 = -hij;
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cblas_daxpy(n, d__1, &wsp[iv + (i__ - 1) * n], 1, &wsp[j1v], 1);
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wsp[ih + (j - 1) * mh + i__ - 1] = hij;
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}
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hj1j = cblas_dnrm2(n, &wsp[j1v], 1);
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/* --- if `happy breakdown' go straightforward at the end ... */
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if (hj1j <= break_tol__) {
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/* print*,'happy breakdown: mbrkdwn =',j,' h =',hj1j */
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k1 = 0;
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ibrkflag = 1;
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mbrkdwn = j;
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tbrkdwn = t_now__;
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t_step__ = t_out__ - t_now__;
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goto L300;
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}
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wsp[ih + (j - 1) * mh + j] = hj1j;
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d__1 = 1. / hj1j;
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cblas_dscal(n, d__1, &wsp[j1v], 1);
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j1v += n;
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/* L200: */
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}
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++nmult;
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{
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NRVec<double> res(&wsp[j1v],n,true);
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NRVec<double> rhs(&wsp[j1v - n],n,true);
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mat.gemv(0.,res,transpose?'t':'n',1.,rhs);
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}
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avnorm = cblas_dnrm2(n, &wsp[j1v], 1);
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/* --- set 1 for the 2-corrected scheme ... */
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L300:
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wsp[ih + m * mh + m + 1] = 1.;
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/* --- loop while ireject<mxreject until the tolerance is reached ... */
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ireject = 0;
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L401:
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/* --- compute w = beta*V*exp(t_step*H)*e1 ... */
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++nexph;
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mx = mbrkdwn + k1;
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if (ideg != 0) {
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/* --- irreducible rational Pade approximation ... */
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d__1 = sgn * t_step__;
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FORNAME(dgpadm)(&ideg, &mx, &d__1, &wsp[ih], &mh, &wsp[ifree], &lfree, &iwsp[1]
|
|
||||||
, &iexph, &ns, &iflag);
|
|
||||||
iexph = ifree + iexph - 1;
|
|
||||||
nscale += ns;
|
|
||||||
} else {
|
|
||||||
/* --- uniform rational Chebyshev approximation ... */
|
|
||||||
iexph = ifree;
|
|
||||||
i__1 = mx;
|
|
||||||
for (i__ = 1; i__ <= i__1; ++i__) {
|
|
||||||
wsp[iexph + i__ - 1] = 0.;
|
|
||||||
}
|
|
||||||
wsp[iexph] = 1.;
|
|
||||||
d__1 = sgn * t_step__;
|
|
||||||
FORNAME(dnchbv)(&mx, &d__1, &wsp[ih], &mh, &wsp[iexph], &wsp[ifree + mx]);
|
|
||||||
}
|
|
||||||
/* L402: */
|
|
||||||
|
|
||||||
/* --- error estimate ... */
|
|
||||||
|
|
||||||
if (k1 == 0) {
|
|
||||||
err_loc__ = tol;
|
|
||||||
} else {
|
|
||||||
p1 = (d__1 = wsp[iexph + m], abs(d__1)) * beta;
|
|
||||||
p2 = (d__1 = wsp[iexph + m + 1], abs(d__1)) * beta * avnorm;
|
|
||||||
if (p1 > p2 * 10.) {
|
|
||||||
err_loc__ = p2;
|
|
||||||
xm = 1. / (double) (m);
|
|
||||||
} else if (p1 > p2) {
|
|
||||||
err_loc__ = p1 * p2 / (p1 - p2);
|
|
||||||
xm = 1. / (double) (m);
|
|
||||||
} else {
|
|
||||||
err_loc__ = p1;
|
|
||||||
xm = 1. / (double) (m - 1);
|
|
||||||
}
|
|
||||||
}
|
|
||||||
|
|
||||||
/* --- reject the step-size if the error is not acceptable ... */
|
|
||||||
|
|
||||||
if (k1 != 0 && err_loc__ > t_step__ * 1.2 * tol && (mxreject == 0 ||
|
|
||||||
ireject < mxreject)) {
|
|
||||||
t_old__ = t_step__;
|
|
||||||
d__1 = t_step__ * tol / err_loc__;
|
|
||||||
t_step__ = t_step__ * .9 * pow_dd(d__1, xm);
|
|
||||||
d__1 = log10(t_step__) - sqr1;
|
|
||||||
i__1 = nint(d__1) - 1;
|
|
||||||
p1 = dipow(10., i__1);
|
|
||||||
d__1 = t_step__ / p1 + .55;
|
|
||||||
t_step__ = floor(d__1) * p1;
|
|
||||||
#ifdef DEBUG
|
|
||||||
/* print*,'t_step =',t_old */
|
|
||||||
/* print*,'err_loc =',err_loc */
|
|
||||||
/* print*,'err_required =',delta*t_old*tol */
|
|
||||||
/* print*,'stepsize rejected, stepping down to:',t_step */
|
|
||||||
#endif
|
|
||||||
++ireject;
|
|
||||||
++nreject;
|
|
||||||
if (mxreject != 0 && ireject > mxreject) {
|
|
||||||
iflag = 2;
|
|
||||||
laerror("Failure in DGEXPV: The requested tolerance is too high. Rerun with a smaller value.");
|
|
||||||
}
|
|
||||||
goto L401;
|
|
||||||
}
|
|
||||||
|
|
||||||
/* --- now update w = beta*V*exp(t_step*H)*e1 and the hump ... */
|
|
||||||
|
|
||||||
/* Computing MAX */
|
|
||||||
i__1 = 0, i__2 = k1 - 1;
|
|
||||||
mx = mbrkdwn + max(i__1,i__2);
|
|
||||||
cblas_dgemv(CblasRowMajor, CblasTrans, n, mx, beta, &wsp[iv], n, &wsp[iexph], 1, 0., &w[1],1);
|
|
||||||
beta = cblas_dnrm2(n, &w[1], 1);
|
|
||||||
hump = max(hump,beta);
|
|
||||||
|
|
||||||
/* --- suggested value for the next stepsize ... */
|
|
||||||
|
|
||||||
d__1 = t_step__ * tol / err_loc__;
|
|
||||||
t_new__ = t_step__ * .9 * pow_dd(d__1, xm);
|
|
||||||
d__1 = log10(t_new__) - sqr1;
|
|
||||||
i__1 = nint(d__1) - 1;
|
|
||||||
p1 = dipow(10., i__1);
|
|
||||||
d__1 = t_new__ / p1 + .55;
|
|
||||||
t_new__ = floor(d__1) * p1;
|
|
||||||
err_loc__ = max(err_loc__,rndoff);
|
|
||||||
|
|
||||||
/* --- update the time covered ... */
|
|
||||||
|
|
||||||
t_now__ += t_step__;
|
|
||||||
|
|
||||||
/* --- display and keep some information ... */
|
|
||||||
|
|
||||||
#ifdef DEBUG
|
|
||||||
/* print*,'integration',nstep,'---------------------------------' */
|
|
||||||
/* print*,'scale-square =',ns */
|
|
||||||
/* print*,'step_size =',t_step */
|
|
||||||
/* print*,'err_loc =',err_loc */
|
|
||||||
/* print*,'next_step =',t_new */
|
|
||||||
#endif
|
|
||||||
step_min__ = min(step_min__,t_step__);
|
|
||||||
step_max__ = max(step_max__,t_step__);
|
|
||||||
s_error__ += err_loc__;
|
|
||||||
x_error__ = max(x_error__,err_loc__);
|
|
||||||
if (mxstep == 0 || nstep < mxstep) {
|
|
||||||
goto L100;
|
|
||||||
}
|
|
||||||
iflag = 1;
|
|
||||||
L500:
|
|
||||||
/* iwsp(1) = nmult */
|
|
||||||
/* iwsp(2) = nexph */
|
|
||||||
/* iwsp(3) = nscale */
|
|
||||||
/* iwsp(4) = nstep */
|
|
||||||
/* iwsp(5) = nreject */
|
|
||||||
/* iwsp(6) = ibrkflag */
|
|
||||||
/* iwsp(7) = mbrkdwn */
|
|
||||||
/* wsp(1) = step_min */
|
|
||||||
/* wsp(2) = step_max */
|
|
||||||
/* wsp(3) = 0.0d0 */
|
|
||||||
/* wsp(4) = 0.0d0 */
|
|
||||||
/* wsp(5) = x_error */
|
|
||||||
/* wsp(6) = s_error */
|
|
||||||
/* wsp(7) = tbrkdwn */
|
|
||||||
/* wsp(8) = sgn*t_now */
|
|
||||||
/* wsp(9) = hump/vnorm */
|
|
||||||
/* wsp(10) = beta/vnorm */
|
|
||||||
if(iflag) laerror("dgexpv error");
|
|
||||||
delete[] ++wsp; delete[] ++iwsp;
|
|
||||||
return;
|
|
||||||
}
|
|
||||||
#undef FORNAME
|
|
||||||
#undef pow_dd
|
|
||||||
|
|
||||||
#endif
|
|
||||||
//EXPOKIT
|
|
||||||
|
|
||||||
|
|
||||||
//@@@ power series matrix logarithm?
|
//@@@ power series matrix logarithm?
|
||||||
|
|
||||||
#endif
|
#endif
|
||||||
|
|||||||
Loading…
Reference in New Issue
Block a user