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findiff

PyPI version

A Python package for finite difference numerical derivatives in any number of dimensions.

Features

  • Differentiate arrays of any number of dimensions along any axis
  • Partial derivatives of any desired order
  • Any accuracy order can be specified
  • Accurate treatment of grid boundary
  • Includes standard operators from vector calculus like gradient, divergence and curl
  • Can handle uniform and non-uniform grids
  • Can handle arbitrary linear combinations of derivatives with constant and variable coefficients
  • Fully vectorized for speed
  • Calculate raw finite difference coefficients for any order and accuracy for uniform and non-uniform grids

Installation

Simply use pip:

pip install findiff

Documentation and Examples

You can find the documentation of the code including examples of application at https://maroba.github.io/findiff-docs/index.html.

Quickstart

Derivatives on uniform grids

findiff works in any number of dimensions. But for the sake of demonstration, suppose you want to differentiate four-dimensional function given as a 4D array f with coordiantes x, y, z, t.

# First derivative with respect to x
# axis 0 = x
d_dx = FinDiff(0, dx)
df_dx = d_dx(f)

# First derivative with respect to z
# axis 2 = z
d_dz = FinDiff(2, dz)
df_dz = d_dz(f)

#
# Second derivatives
#
# along axis 0:
d2_dx2 = FinDiff(0, dx, 2)
d2f_dx2 = d2_dx2(f)

# along axis 1:
d2_dy2 = FinDiff(1, dy, 2)
d2f_dy2 = d2_dy2(f)

# mixed derivative:
d2_dxdz = FinDiff((0, dx), (2, dz))
d2_dxdz(f)

# 8th derivative with respect to axis 1
d8_dy8 = FinDiff(1, dy, 8)
d8f_dy8 = d8_dy8(f)

# Mixed 3rd derivatives, twice with respect to x, once w.r.t. z
d3_dx2dz = FinDiff((0, dx, 2), (2, dz))

# You can also create linear combinations of differential operators
diff_op = Coefficient(2) * FinDiff((0, dz, 2), (2, dz, 1)) + Coefficient(3) * FinDiff((0, dx, 1), (1, dy, 2))

# and even use variable coefficients:
X, Y, Z, U = numpy.meshgrid(x, y, z, u, indexing="ij")
diff_op = Coefficient(2*X) * FinDiff((0, dz, 2), (2, dz, 1)) + Coefficient(3*Y*Z**2) * FinDiff((0, dx, 1), (1, dy, 2))

# Standard operators like gradient, divergence and curl from vector calculus are also available, for example:

grad = Gradient(h=[dx, dy, dz, du])
grad_f = grad(f)

More examples, including linear combinations with variable coefficients can be found here.

Derivatives in N dimensions

The package can work with any number of dimensions, the generalization of usage is straight forward. The only limit is memory and CPU speed.

Derivatives on non-uniform grids

findiff can also handle non-uniform grids. The only difference is that instead of giving the grid spacing to the FinDiff constructor, you give it the coordinates:

import numpy as np
from findiff import FinDiff

# A non-uniform 3D grid:
x = np.r_[np.arange(0, 4, 0.05), np.arange(4, 10, 1)]
y = np.r_[np.arange(0, 4, 0.05), np.arange(4, 10, 1)]
z = np.r_[np.arange(0, 4.5, 0.05), np.arange(4.5, 10, 1)]
X, Y, Z = np.meshgrid(x, y, z, indexing='ij')

# Some function to differentiate
f = np.exp(-X**2-Y**2-Z**2)

# Define the partial derivative with respect to y, e.g.
d_dy = FinDiff(1, x)

# Apply it to f
fy = d_dy(f)

Accuracy Control

When constructing an instance of FinDiff, you can request the desired accuracy order by setting the keyword argument acc.

d2_dx2 = findiff.FinDiff(0, dy, 2, acc=4)
d2f_dx2 = d2_dx2(f)

If not specified, second order accuracy will be taken by default.

Finite Difference Coefficients

Sometimes you may want to have the raw finite difference coefficients. These can be obtained for any derivative and accuracy order using findiff.coefficients(deriv, acc). For instance,

import findiff
coefs = findiff.coefficients(deriv=2, acc=2)

gives

{ 'backward': {'coefficients': array([-1.,  4., -5.,  2.]),
               'offsets': array([-3, -2, -1,  0])},
  'center': {'coefficients': array([ 1., -2.,  1.]),
             'offsets': array([-1,  0,  1])},
  'forward': {'coefficients': array([ 2., -5.,  4., -1.]),
              'offsets': array([0, 1, 2, 3])}
              }

Further examples

A collection of further examples using the findiff package can be found in here.

Dependencies

findiff uses numpy for fast array processing.