grid

User Documentation

  • Installation
    • Downloading Code
    • Dependencies
    • Installation
    • Building Documentation
  • One-Dimensional Grids
  • Radial Transformations
  • Conventions
    • Spherical Coordinates
    • Spherical Harmonics
      • Ordering
    • Angular Grids
      • Nested Grids

Example Tutorials

  • Molecular Grids
    • Integration
      • Example: Electron Density
    • Interpolation
      • Example: Electron Density
    • Derivative Interpolation
      • Example: Weizsacker Kinetic Energy Density
    • Solving Poisson Equation
      • Example: Electrostatic Potential
  • Constructing Molecular Grids
    • Molecular Grid Details
    • Construction of Molecular Grid
      • Constructor
      • from_preset method
      • from_size method
      • from_pruned method
  • Cubic Grids
    • Tensor 1D Grids
      • Interpolation
    • Uniform Grid
  • Interpolation and Solving Poisson’s Equation
    • Details
    • Example: Unit-charge distribution
    • Solving Poisson Equation
  • Multipole Moments

API Documentation

  • grid
    • grid package
      • Submodules
        • grid.angular module
        • grid.atomgrid module
        • grid.basegrid module
        • grid.becke module
        • grid.cubic module
        • grid.hirshfeld module
        • grid.molgrid module
        • grid.ode module
        • grid.onedgrid module
        • grid.periodicgrid module
        • grid.poisson module
        • grid.rtransform module
        • grid.utils module
      • Module contents
grid
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