Functional Tools

• Auto-differentiation Tools
  • Functional Derivative
    • get_functional_derivative()
  • Linear Response
    • get_inv_G()
  • Stress
    • get_stress()
  • Pressure
    • get_pressure()
• Fast Fourier Transform (FFT) Tools
  • Wavevector Tools
    • Wavevectors
      • wavevecs()
    • Gradient
      • grad_i()
    • Gradient Squared
      • grad_dot_grad()
    • Laplacian
      • laplacian()
  • Density Descriptors
    • Reduced Gradient
      • reduced_gradient()
    • Reduced Gradient Squared
      • reduced_gradient_squared()
    • Reduced Laplacian
      • reduced_laplacian()
• Interpolation Tools
  • Interpolate
    • interpolate()
  • Field-dependent Kernel Spline
    • Interpolate Kernel
      • interpolate_kernel()
    • Field-dependent Convolution
      • field_dependent_convolution()