Module wafer::potential[−][src]

Handles the potential generation, binding energy offsets, callouts to files or scripts if needed etc.

Re-exports

use ndarray::Array3;

use ndarray::Zip;

use ndarray_parallel::prelude::*;

use noisy_float::prelude::*;

use slog::Logger;

use std::f64::consts::PI;

use std::f64::MAX;

use config::Config;

use config::Grid;

use config::Index3;

use config::PotentialType;

use errors::*;

use grid;

use input;

use output;

PotentialSubSingle	A single value struct for potential_sub outputs that do not require an entire array.
Potentials	Holds the potential arrays for the current simulation.

_IMPL_DESERIALIZE_FOR_PotentialSubSingle
_IMPL_SERIALIZE_FOR_PotentialSubSingle

alphas	Running coupling. Used for Cornell potentials.
calculate_r2	Calculates squared distance
generate	A public wrapper around `potential`. Where `potential` does the calculation for a single point, `generate` builds the entire grid.
load_arrays	Handles the potential loading from file, or generating depending on configuration Ancillary arrays are also generated here.
mu	Debye screening mass. Used for Cornell potentials.
potential	Generates a potential for the current simulation at a particular index point.
potential_sub	Calculate binding energy offset (if any). Follows the `potential` input/output arguments. `FullCornell`, and subsequent potentials that require indexed values must call `potential_sub_idx`.
potential_sub_idx	Calculate binding energy offset (if any). Follows the `potential` input/output arguments. Used if calculation requires indexing. If not, call `potential_sub` instead. Currency only `FullCornell` requires this routine.