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Computer Physics Communications, Volume 228

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Volume 228, July 2018

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  - journals/cphysics/Umeda18
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Takayuki Umeda:
A three-step Boris integrator for Lorentz force equation of charged particles. 1-4
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Andrew Bingham, Hyoung K. Lee:
The viability of ADVANTG deterministic method for synthetic radiography generation. 5-10
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Julian Lee:
Transfer matrix algorithm for computing the exact partition function of a square lattice polymer. 11-21
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  - journals/cphysics/VincentiV18
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Henri Vincenti, Jean-Luc Vay:
Ultrahigh-order Maxwell solver with extreme scalability for electromagnetic PIC simulations of plasmas. 22-29
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  - journals/cphysics/NedjalkovEWSADS18
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Mihail Nedjalkov, Paul Ellinghaus, Josef Weinbub, Toufik Sadi, Asen Asenov, Ivan Dimov, Siegfried Selberherr:
Stochastic analysis of surface roughness models in quantum wires. 30-37
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  - journals/cphysics/Shakirov18
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Timur Shakirov:
Convergence estimation of flat-histogram algorithms based on simulation results. 38-43
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Sourendu Gupta, Pushan Majumdar:
Accelerating lattice QCD simulations with 2 flavors of staggered fermions on multiple GPUs using OpenACC - A first attempt. 44-53
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  - journals/cphysics/TrofimovKZ18
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M. Yu. Trofimov, S. B. Kozitskiy, A. D. Zakharenko:
Simulation of the pulse propagation by the interacting mode parabolic equation method. 54-60
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Erasmus J. du Toit, Martin R. O'Brien, Roddy G. L. Vann:
Positivity-preserving scheme for two-dimensional advection-diffusion equations including mixed derivatives. 61-68
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  - journals/cphysics/LiXRGSW18
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N. M. Li, X. Q. Xu, Thomas D. Rognlien, B. Gui, J. Z. Sun, D. Z. Wang:
Calculation of two-dimension radial electric field in boundary plasmas by using BOUT++. 69-82
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Bernadett Ács, Gergely Szlobodnyik, Gábor Szederkényi:
A computational approach to the structural analysis of uncertain kinetic systems. 83-95
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Robert Warmbier, Alexander Quandt:
Brillouin zone grid refinement for highly resolved ab initio THz optical properties of graphene. 96-99
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M. P. Clay, Dhawal Buaria, P. K. Yeung, Toshiyuki Gotoh:
GPU acceleration of a petascale application for turbulent mixing at high Schmidt number using OpenMP 4.5. 100-114
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N. Auer, Lukas Einkemmer, Peter Kandolf, Alexander Ostermann:
Magnus integrators on multicore CPUs and GPUs. 115-122
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Benjamin E. Niehoff:
Faster tensor canonicalization. 123-145
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Florian Benedetti, Claire Loison:
Comment to: "Martini straight: Boosting performance using a shorter cutoff and GPUs" by D.H. de Jong, S. Baoukina, H.I. Ingólfsson, and S.J. Marrink. 146-151
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Shingo Ito, Dmitri G. Fedorov, Yuko Okamoto, Stephan Irle:
Implementation of replica-exchange umbrella sampling in GAMESS. 152-162

Computer programs in physics

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Shao-Jun Dong, Wen-Yuan Liu, Chao Wang, Yongjian Han, G.-C. Guo, Lixin He:
TNSPackage: A Fortran2003 library designed for tensor network state methods. 163-177
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Han Wang, Linfeng Zhang, Jiequn Han, Weinan E:
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics. 178-184
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Ágnes Baran, Cs. Noszály, Tamas Vertse:
JOZSO, a computer code for calculating broad neutron resonances in phenomenological nuclear potentials. 185-191
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Arya Fallahi, Alireza Yahaghi, Franz X. Kärtner:
MITHRA 1.0: A full-wave simulation tool for free electron lasers. 192-208
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Nathan P. Walter, Abhishek Jaiswal, Zhikun Cai, Yang Zhang:
LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments. 209-218
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Tamás Szidarovszky, Maho Jono, Kaoru Yamanouchi:
LIMAO: Cross-platform software for simulating laser-induced alignment and orientation dynamics of linear-, symmetric- and asymmetric tops. 219-228
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Burkhard Schmidt, Carsten Hartmann:
WavePacket: A Matlab package for numerical quantum dynamics.II: Open quantum systems, optimal control, and model reduction. 229-244
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Pushpalatha C. Bhat, Harrison B. Prosper, Sezen Sekmen, Chip Stewart:
Optimizing event selection with the random grid search. 245-257
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Toni Giorgino:
How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation. 258-263
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Andrew Fowlie:
A fast C++ implementation of thermal functions. 264-272
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  - journals/cphysics/SulejmanpasicU18
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Tin Sulejmanpasic, Mithat Ünsal:
Aspects of perturbation theory in quantum mechanics: The BenderWuMathematica^® package. 273-289

New version announcement

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Linyu Fan, Jianwei Liao, Junsen Zuo, Kebo Zhang, Chao Li, Hailing Xiong:
Version 4.0 of code Java for 3D simulation of the CCA model. 290-292

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