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
• Canonical ensemble average energy of a bulk SPC/E fluid

FEASST plugin dependencies

• monte_carlo

API

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