• TINKER

  • Referenced in 10 articles [sw04095]
  • reaction field treatment of long range electrostatics, fast distance geometry metrization with better sampling than...
  • AFMPB

  • Referenced in 7 articles [sw08875]
  • AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems ... computing the electrostatics in biomolecules. This solver combines the fast multipole method with the Krylov...
  • MDSimAid

  • Referenced in 2 articles [sw30363]
  • MDSIMAID: automatic parameter optimization in fast electrostatic algorithms. MDSIMAID is a recommender system that optimizes ... sequential and parallel multigrid (MG) summation fast electrostatic solvers. MDSIMAID optimizes the running time ... parallel scalability, making it run twice as fast in parallel in our tests. MDSIMAID...
  • VORPAL

  • Referenced in 19 articles [sw02597]
  • running computationally intensive plasma, electromagnetic and electrostatic problems. VSim enables you to switch easily between ... dimensions then watch your model run lightning fast using algorithms designed for the exacting demands...
  • ProtoMol

  • Referenced in 8 articles [sw10728]
  • fast solvers for the force computation, particularly due to electrostatic interactions. Several new and efficient...
  • FFTSVD

  • Referenced in 10 articles [sw08886]
  • fast boundary-element method (BEM) algorithm that is well suited for solving electrostatics problems that...
  • MMM2D

  • Referenced in 4 articles [sw18357]
  • MMM2D: a fast and accurate summation method for electrostatic interactions in 2D slab geometries ... method to accurately calculate the electrostatic energy and forces on charges being distributed ... convergence factor into a series of fast decaying functions which can be easily evaluated. Rigorous...
  • PAFMPB

  • Referenced in 5 articles [sw16770]
  • provides fast calculation of the total solvation-free energy, including the PB electrostatic and nonpolar...
  • Spectral Ewald

  • Referenced in 3 articles [sw20084]
  • Ewald (SE) fast Ewald summation method for several different kernels related to electrostatics and Stokes...
  • ScaFaCoS

  • Referenced in 4 articles [sw12730]
  • Solvers. ScaFaCoS is a library of scalable fast coulomb solvers. This is a network project ... parallel library for various methods to solve electrostatic (and gravitational) problems in large particle simulations...
  • Atomistix ToolKit

  • Referenced in 3 articles [sw15484]
  • fast semi-empirical methods and classical potentials. Moreover, ATK includes a very advanced electrostatic model...
  • DAMQT

  • Referenced in 1 article [sw22183]
  • molecules and the fast computation of the density, density deformations, electrostatic potential and field...
  • BETL

  • Referenced in 9 articles [sw12389]
  • engineering applications. Prominent examples are, e.g., electrostatic or thermal models as well as the scattering ... language features. This ensures the fast development of robust, extendable, and reliable numerical schemes...
  • MMM1D

  • Referenced in 2 articles [sw18358]
  • method to accurately calculate the electrostatic energy and forces on charges in a system with ... convergence factor into a series of fast decaying functions similar to the Lekner method. Rigorous...
  • hieLPS

  • Referenced in 1 article [sw16823]
  • Poisson’s equation, which often arises from electrostatic problems, by using hierarchical loop basis. This ... potential distribution is solved rapidly with a fast solution of O(N) complexity. Among...
  • BEMLIB

  • Referenced in 101 articles [sw00005]
  • BEMLIB is a boundary-element software library of...
  • ANSYS

  • Referenced in 655 articles [sw00044]
  • ANSYS offers a comprehensive software suite that spans...
  • ATLAS

  • Referenced in 197 articles [sw00056]
  • This paper describes the Automatically Tuned Linear Algebra...
  • FLAME

  • Referenced in 38 articles [sw00293]
  • We present a number of application program interfaces...
  • LAPACK

  • Referenced in 1626 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...