Computer Physics Communications, Volume 174

Volume 174, Number 1, January 2006

• Jonathan de Matos, Eduardo Bortolato, Alexandre Camilo Jr., João Angelo Martini, Ronaldo Augusto Lara Gonçalves, Paulo S. L. de Souza:
  Binary SCF: GAMESS improvements for energy evaluation based on SCF methods. 1-16
  
• Daniel Herzbach, Martin H. Müser:
  Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz. 17-23
  
• P. J. Hasnip, C. J. Pickard:
  Electronic energy minimisation with ultrasoft pseudopotentials. 24-29
  

• A. Grau Carles, A. Grau Malonda:
  CHEREN2, the Cherenkov counting efficiency by an anisotropy detection model. 30-34
  
• A. Grau Carles:
  EMILIA, the LS counting efficiency for electron-capture and capture-gamma emitters. 35-46
  
• P. Bechtle, K. Desch, P. Wienemann:
  Fittino, a program for determining MSSM parameters from collider observables using an iterative method. 47-70
  
• Alejandro Lorca, Tord Riemann:
  An integrated tool for loop calculations: aITALC^, . 71-82
  

• Andrzej Daniluk, Kazimierz Skrobas:
  A new version of a computer program for dynamical calculations of RHEED intensity oscillations. 83-85
  

Volume 174, Number 2, January 2006

• C. Urbach, K. Jansen, A. Shindler, U. Wenger:
  HMC algorithm with multiple time scale integration and mass preconditioning. 87-98
  
• A. Mohammadian, D. Y. Le Roux:
  Conservative semi-implicit semi-Lagrangian scheme for simulation of shallow flows. 99-108
  
• Zhongcheng Wang:
  Trigonometrically-fitted method with the Fourier frequency spectrum for undamped Duffing equation. 109-118
  
• R. Krivec, V. B. Mandelzweig:
  Quasilinearization method and WKB. 119-126
  
• Branislav Radjenovic, Jae Koo Lee, Marija Radmilovic-Radjenovic:
  Sparse field level set method for non-convex Hamiltonians in 3D plasma etching profile simulations. 127-132
  

• Stephen P. Martin, David G. Robertson:
  TSIL: a program for the calculation of two-loop self-energy integrals. 133-151
  
• Ioannis G. Tsoulos, Isaac E. Lagaris:
  Genetically controlled random search: a global optimization method for continuous multidimensional functions. 152-159
  
• D. Nikezic, K. N. Yu:
  Computer program TRACK_TEST for calculating parameters and plotting profiles for etch pits in nuclear track materials. 160-165
  
• Ioannis G. Tsoulos, Isaac E. Lagaris:
  MinFinder: Locating all the local minima of a function. 166-179
  

Volume 174, Number 3, February 2006

• Krzysztof Pomorski:
  Gauss-Hermite approximation formula. 181-186
  
• J. B. Wang, J. Pan:
  Acoustical wave propagator with modified Chebyshev expansion. 187-190
  
• Sven Schubert, Karl Heinz Hoffmann:
  The structure of enumerated spin glass state spaces. 191-197
  
• Nicholas D. Blakeley, Rick P. Millane:
  Exact enumeration of the ground states of a triangular Ising antiferromagnet. 198-201
  

• G. Gaigalas, O. Scharf, S. Fritzsche:
  Hyperfine structure parametrisation in Maple. 202-221
  
• Daniel Maître:
  HPL, a Mathematica implementation of the harmonic polylogarithms. 222-240
  

• Chao-Hsi Chang, Jian-Xiong Wang, Xing-Gang Wu:
  BCVEGPY2.0: An upgraded version of the generator BCVEGPY with the addition of hadroproduction of the P-wave B_c states. 241-251
  

• A. Jacholkowska, J. Kalinowski, Z. Was:
  Erratum to "Library of SM and anomalous WWgamma couplings for the e⁺e^- -> f f_{n gamma} Monte Carlo programs" [Computer Physics Communications 124 (2000) 238]. 253
  

Volume 174, Number 4, February 2006

• Hans Van de Vyver:
  A fourth-order symplectic exponentially fitted integrator. 255-262
  
• Kwang Jin Oh, Michael L. Klein:
  A parallel molecular dynamics simulation scheme for a molecular system with bond constraints in NPT ensemble. 263-269
  
• Ke Tang, Huaiwu Zhang, Zhiyong Zhong:
  Lekner summation for two-dimensional magnetic dipolar interaction energy. 270-272
  

• Oleg Zatsarinny:
  BSR: B-spline atomic R-matrix codes. 273-356
  

Volume 174, Number 5, March 2006

• Veerle Ledoux, Marnix Van Daele, Guido Vanden Berghe:
  CPM{P, N} methods extended for the solution of coupled channel Schrödinger equations. 357-370
  
• Weichung Wang, Tsung-Min Hwang, Jia-Chuan Jang:
  A second-order finite volume scheme for three dimensional truncated pyramidal quantum dot. 371-385
  
• Limin Wang, Wei Ge, Jinghai Li:
  A new wall boundary condition in particle methods. 386-390
  

• D. S. Vlachos, T. E. Simos:
  PDSW: A program for the calculation of photon energy distribution resulting from radioactive elements in seawater. 391-395
  
• Dieter Bauer, Peter Koval:
  Qprop: A Schrödinger-solver for intense laser-atom interaction. 396-421
  

• Frank Eisenmenger, Ulrich H. E. Hansmann, Shura Hayryan, Chin-Kun Hu:
  An enhanced version of SMMP - open-source software package for simulation of proteins. 422-429
  

Volume 174, Number 6, March 2006

• R. Gutiérrez-Castrejón, M. Duelk:
  Using LabVIEW^TM for advanced nonlinear optoelectronic device simulations in high-speed optical communications. 431-440
  
• Heinrich Voss:
  Numerical calculation of the electronic structure for three-dimensional quantum dots. 441-446
  

• Dongmei Wu, Zhongcheng Wang:
  A Mathematica program for the approximate analytical solution to a nonlinear undamped Duffing equation by a new approximate approach. 447-463
  
• A. Bel'kov, S. Shulga:
  BtoVVana: the package for analysis of ... and ... decays. 464-480
  
• A. Andonov, A. Arbuzov, D. Bardin, S. Bondarenko, P. Christova, L. Kalinovskaya, G. Nanava, W. von Schlippe:
  SANCscope - v.1.00^, . 481-517
  

• Poul Martin Hansen, Iva Marija Tolic-Nørrelykke, Henrik Flyvbjerg, Kirstine Berg-Sørensen:
  tweezercalib 2.0: Faster version of MatLab package for precise calibration of optical tweezers. 518-520
  

Volume 174, Number 7, April 2006

• D. C. Rapaport:
  Multibillion-atom molecular dynamics simulation: Design considerations for vector-parallel processing. 521-529
  
• Yoshimi Kurihara, Toyohisa Kaneko:
  Numerical contour integration for loop integrals. 530-539
  
• Robert J. Thacker, Hugh M. P. Couchman:
  A parallel adaptive P³M code with hierarchical particle reordering. 540-554
  

• Ioannis G. Tsoulos, Dimitris Gavrilis, Evangelos Dermatas:
  GDF: A tool for function estimation through grammatical evolution. 555-559
  
• Kwang Jin Oh, Michael L. Klein:
  A general purpose parallel molecular dynamics simulation program. 560-568
  
• Georg M. von Hippel:
  TaylUR, an arbitrary-order diagonal automatic differentiation package for Fortran 95. 569-576
  
• G. Bélanger, F. Boudjema, A. Pukhov, A. Semenov:
  micrOMEGAs: Version 1.3. 577-604
  

• Ugo Becciani, M. Comparato, Vincenzo Antonuccio-Delogu:
  FLY MPI-2: a parallel tree code for LSS. 605-606
  

Volume 174, Number 8, April 2006

• Christine Böckmann, Andreas Kirsche:
  Iterative regularization method for lidar remote sensing. 607-615
  

• J. Pagaran, S. Fritzsche, G. Gaigalas:
  Maple procedures for the coupling of angular momenta. IX. Wigner D-functions and rotation matrices. 616-630
  
• A. S. Kapoyannis, A. I. Karanikas, C. N. Ktorides:
  A numerical algorithm for efficiently obtaining a Feynman parameter representation of one-gluon loop QCD Feynman diagrams for a large number of external gluons. 631-642
  
• Ioannis C. Demetriou:
  L2CXCV: A Fortran 77 package for least squares convex/concave data smoothing. 643-668
  
• Adam Kisiel, Tomasz Taluc, Wojciech Broniowski, Wojciech Florkowski:
  THERMINATOR: THERMal heavy-IoN generATOR^, . 669-687
  

Volume 174, Number 9, May 2006

• T. Schwartzkopff, Frieder Lörcher, Claus-Dieter Munz, R. Schneider:
  Arbitrary high order finite-volume methods for electromagnetic wave propagation. 689-703
  
• H. J. Limbach, A. Arnold, B. A. Mann, C. Holm:
  ESPResSo - an extensible simulation package for research on soft matter systems. 704-727
  

• A. B. Arbuzov, M. Awramik, M. Czakon, A. Freitas, M. W. Grünewald, K. Mönig, S. Riemann, T. Riemann:
  ZFITTER: a semi-analytical program for fermion pair production in e⁺e^- annihilation, from version 6.21 to version 6.42. 728-758
  
• S. Moch, P. Uwer:
  -XSummer- Transcendental functions and symbolic summation in Form. 759-770
  

Volume 174, Number 10, May 2006

• E. A. Dorfi, H. Pikall, A. Stökl, A. Gautschy:
  Towards a more consistent discretization scheme for adaptive implicit RHD computations. 771-782
  
• Franz Schreier:
  Optimized evaluation of a large sum of functions using a three-grid approach. 783-792
  
• Gábor Tóth:
  Flexible, efficient and robust algorithm for parallel execution and coupling of components in a framework. 793-802
  
• H. De Raedt, Koen De Raedt, K. Michielsen, S. Miyashita:
  Efficient data processing and quantum phenomena: Single-particle systems. 803-817
  

• Piotr Golonka, Borut Paul Kersevan, T. Pierzchala, Elzbieta Richter-Was, Z. Was, M. Worek:
  The tauola-photos-F environment for the TAUOLA and PHOTOS packages, release II. 818-835
  
• Claudine Gutlé:
  Analytic exchange integral for coupled cluster theory in the homogeneous electron gas. 836-845
  
• Ioannis G. Tsoulos, Isaac E. Lagaris:
  GenAnneal: Genetically modified Simulated Annealing. 846-851
  

Volume 174, Number 11, June 2006

• Robin Steinigeweg, Heinz-Jürgen Schmidt:
  Symplectic integrators for classical spin systems. 853-861
  
• João V. B. Ferreira, Valter L. Líbero, Luiz N. Oliveira:
  Multi-step transformation in numerical renormalization group. 862-868
  
• Luciano M. Barone, Simone Cau, Francesca Cavallari, Silvia Costantini, Ioan Dafinei, Marcella Diemoz, Remo Moro, Giovanni Organtini, Riccardo Paramatti, Fabio Pellegrino:
  REDACLE: A flexible database for traceability and workflow management for detector construction. 869-875
  

• F. Krauss, A. Schälicke, G. Soff:
  APACIC++ 2.0. A PArton Cascade In C++. 876-902
  
• K. Rykhlinskaya, S. Fritzsche:
  Generation of Clebsch-Gordan coefficients for the point and double groups. 903-913
  
• Bruno Juliá-Díaz, Joseph M. Burdis, Frank Tabakin:
  QDENSITY - A Mathematica Quantum Computer simulation. 914-934
  

Volume 174, Number 12, June 2006

• T. Speer, R. Frühwirth:
  A Gaussian-sum filter for vertex reconstruction. 935-947
  
• K.-H. Hsu, P.-Y. Chen, C.-T. Hung, L.-H. Chen, J.-S. Wu:
  Development of a parallel Poisson's equation solver with adaptive mesh refinement and its application in field emission prediction. 948-960
  
• Guy Norton, Jorge C. Novarini:
  Finite-difference time-domain simulation of acoustic propagation in dispersive medium: An application to bubble clouds in the ocean. 961-965
  

• Rakesh Prabhat Tiwari, Alok Shukla:
  A basis-set based Fortran program to solve the Gross-Pitaevskii equation for dilute Bose gases in harmonic and anharmonic traps. 966-982
  
• Sascha Husa, Ian Hinder, Christiane Lechner:
  Kranc: a Mathematica package to generate numerical codes for tensorial evolution equations. 983-1004