FEASST 0.25.14
  • Overview
  • Tutorials
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  • C++ Interface
    • Threads
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    • Charge
      • Tutorial
        • Reference configuration of SPC/E water in non-cuboid domain
        • Average energy of a bulk SPC/E fluid in the canonical ensemble
        • NPT ensemble of bulk SPC/E
      • FEASST plugin dependencies
      • API
        • charge/include/utils
        • TrialRemoveMultiple
        • TrialAddMultiple
        • TrialTransferMultiple
        • ComputeAddMultiple
        • ComputeRemoveMultiple
        • Coulomb
        • ChargeScreenedIntra
        • DebyeHuckel
        • ChargeScreened
        • ElectricField
        • ChargeSelf
        • SlabCorrection
        • Ewald
        • CheckNetCharge
    • Optimized Lennard-Jones
    • Cluster
    • Expanded Grand Canonical Ensemble
    • Morph
    • Beta expanded
    • Prefetch
    • Aniso
    • Modify FEASST
    • Gibbs
    • Server
    • Model Expanded
    • FFTW
    • NetCDF
    • MPI
  • Modify FEASST
  • pyfeasst
  • Python Interface
  • Contact
  • Contributing
  • Acknowledgement
  • Citation
FEASST 0.25.14
National Institute of Standards and Technology
  • »
  • C++ Interface »
  • Charge

Charge

This is a plugin for charged interactions, including the Ewald summation for long-range electrostatics, 2D slab correction, and electric field.

Tutorial

  • Reference configuration of SPC/E water in non-cuboid domain
  • Average energy of a bulk SPC/E fluid in the canonical ensemble
  • NPT ensemble of bulk SPC/E

FEASST plugin dependencies

  • monte_carlo

API

  • charge/include/utils
  • TrialRemoveMultiple
  • TrialAddMultiple
  • TrialTransferMultiple
  • ComputeAddMultiple
  • ComputeRemoveMultiple
  • Coulomb
  • ChargeScreenedIntra
  • DebyeHuckel
  • ChargeScreened
  • ElectricField
  • ChargeSelf
  • SlabCorrection
  • Ewald
  • CheckNetCharge
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