Coulomb

class hoomd.md.long_range.pppm.Coulomb(nlist, resolution, order, r_cut, alpha, pair_force)

Bases: Force

Reciprocal space part of the PPPM Coulomb forces.

Note

Use make_pppm_coulomb_forces() to create a connected pair of md.pair.Ewald and md.long_range.pppm.Coulomb instances that together implement the PPPM method for electrostatics.

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Members inherited from AutotunedObject:

property kernel_parameters

Kernel parameters. Read more...

property is_tuning_complete

Check if kernel parameter tuning is complete. Read more...

tune_kernel_parameters()

Start tuning kernel parameters. Read more...

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Members inherited from Force:

additional_energy

Additional energy term. Read more...

additional_virial

Additional virial tensor term \(W_\mathrm{additional}\). Read more...

cpu_local_force_arrays

Local force arrays on the CPU. Read more...

energies

Energy contribution \(U_i\) from each particle. Read more...

energy

The potential energy \(U\) of the system from this force. Read more...

forces

The force \(\vec{F}_i\) applied to each particle. Read more...

gpu_local_force_arrays

Local force arrays on the GPU. Read more...

torques

The torque \(\vec{\tau}_i\) applied to each particle. Read more...

virials

Virial tensor contribution \(W_i\) from each particle. Read more...

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Members defined in Coulomb:

resolution

Number of grid points in the x, y, and z directions \(\mathrm{[dimensionless]}\).

Type:

tuple[int, int, int]

order

Number of grid points in each direction to assign charges to \(\mathrm{[dimensionless]}\).

Type:

int

r_cut

Cutoff distance between the real space and reciprocal space terms \(\mathrm{[length]}\).

Type:

float

alpha

Debye screening parameter \(\mathrm{[length^{-1}]}\).

Type:

float

property nlist

Neighbor list used to compute the real space term.