POMULT: A program for computing periodic orbits in Hamiltonian systems based on multiple shooting algorithms

被引:51
作者
Farantos, SC [1 ]
机构
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Hellas, Greece
[2] Univ Crete, Dept Chem, Iraklion 71110, Greece
关键词
molecular dynamics and spectra; periodic orbits; multiple shooting algorithm; damped Newton-Raphson method;
D O I
10.1016/S0010-4655(97)00131-8
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
POMULT is a FORTRAN code for locating Periodic Orbits and Equilibrium Points in Hamiltonian systems based on 2-point boundary value solvers which use multiple shooting algorithms. The code has mainly been developed for locating periodic orbits in molecular Hamiltonian systems with many degrees of freedom and it utilizes a damped Newton-Raphson method and a secant method. The Graphical User Interface has also been written in the tcl-tk script language for interactively manipulating the input and output data. POMULT provides routines for a general analysis of a dynamical system such as fast Fourier transform of the trajectories, Poincare surfaces of sections, maximum Lyapunov exponents and evaluation of the classical autocorrelation functions and power spectra. (C) 1998 Elsevier Science B.V.
引用
收藏
页码:240 / 258
页数:19
相关论文
共 30 条
[1]  
[Anonymous], TIME DEPENDENT QUANT
[2]  
[Anonymous], 1988, EQUILIBRIUM CHAOS PR
[3]  
BARANGER M, 1988, ANN PHYS, V186, P110
[4]  
BECK C, 1997, IN PRESS J CHEM PHYS
[5]   COMPLEX UNSTABLE PERIODIC-ORBITS AND THEIR MANIFESTATION IN CLASSICAL AND QUANTUM DYNAMICS [J].
CONTOPOULOS, G ;
FARANTOS, SC ;
PAPADAKI, H ;
POLYMILIS, C .
PHYSICAL REVIEW E, 1994, 50 (06) :4399-4403
[6]  
Davies K. T. R., 1992, Chaos, V2, P215, DOI 10.1063/1.165907
[7]   BIFURCATIONS OF PERIODIC TRAJECTORIES IN NON-INTEGRABLE HAMILTONIAN-SYSTEMS WITH 2-DEGREES OF FREEDOM - NUMERICAL AND ANALYTICAL RESULTS [J].
DEAGUIAR, MAM ;
MALTA, CP ;
BARANGER, M ;
DAVIES, KTR .
ANNALS OF PHYSICS, 1987, 180 (02) :167-205
[8]   STEPSIZE CONTROL FOR CONTINUATION METHODS AND ITS SPECIAL APPLICATION TO MULTIPLE SHOOTING TECHNIQUES [J].
DEUFLHARD, P .
NUMERISCHE MATHEMATIK, 1979, 33 (02) :115-146
[9]  
DEUFLHARD P, 1974, NUMER MATH, V22, P189
[10]  
DOEDEL EJ, 1981, C NUMER, V30, P235