Module bader::methods

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Expand description

Contains the methods for partioning the density, finding maxima and calculating the Laplacian for voxel based grids.

Enums

Functions

  • laplacian
    Calculate the Laplacian of the density at a point in the grid
  • maxima_finder
    Find the maxima within the charge density
  • weight
    Assigns a maxima to the points within index.
  • weight_step
    Steps in the density grid, from point p, following the gradient.