Questions tagged [python]

A general purpose high-level programming language that emphasizes ease of code syntax and readability.

103 questions
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How reproducible are conda environments?

I am aiming at keeping my scientific studies and analyses reproducible: I am automating them as much as possible, I am sharing them, and I sharing them together with the execution environment(s) I've ...
161 views

Solving a PDE implicitly by iteration in python

Connected to this question here on Computational Science, I've posted a follow-up question on how to solve a PDE using an implicit scheme like Crank-Nicholson in general in this question on SO. But I ...
423 views

Large meshing with tetgen

So I have a point cloud that I am creating a 3D flat rectangular surface from. I'm then turning it into a hollow box and connecting the corners by just dropping this surface mesh down. I need it to ...
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Python - calculation time derivative and laplacien by finite differences

I would like to determine a temporal derivative and a Laplacian by the finite differences method to solve the heat equation in a 1-dimensional case. My aim is to get the sources term that is why I ...
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Polynomial Fitting with Least Squares using Numpy and Scipy

I am trying to fit data to a polynomial using Python - Numpy. The points, with lines sketched above them are as in the picture. I am trying to fit those points to a polynomial of 4. or 5. degree. ...
911 views

BFGS Fails to Converge

The model I'm working on is a multinomial logit choice model. It's a very specific dataset so other existing MNLogit libraries don't fit with my data. So basically, it's a very complex function ...
154 views

Is there an easy way to read a PetscBag into a python dict?

I'm using a PetscBag to store the input parameters of my program. At some point, I'm going to need to use python to plot these parameters against some output parameters, and ...
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Computing the structure factor from positions and radial distribution function

I'm currently analysing some spatial point patterns that come from some fluid dynamics simulations and I'm having some difficulty computing the structure factor, $S(\pmb{k})$, from both the positions ...
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2D reaction-diffusion system simulation

I am a complete beginner in numerical simulation and I am pretty lost about how to tackle this problem. I have been trying for some time to find the steady state (or simulate), the following system ...
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Precision not improving by decreasing step-size in nonlinear Schrödinger

I tried to simulate soliton propagation by solving the nonlinear Schrödinger equation using the split-step Fourier method. The following is an example of the Matlab code copied from a textbook. ...
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Optimizing for loops by using Einstein summations instead

I have some Python code containing a couple of for loops, which I would like to optimize by using low-level functions. My first approach is to use ...
183 views

minimalistic library for classical molecular mechanics force-field in C/C++/Python

I would like some classical molecular mechanics forcefield library or super-simple program which does not have any external dependences, so that I can plug it into my software without worry of "...
779 views

Using RK2 Method to solve the simple harmonic oscillator of a horizontal mass on a spring (1D)

Being new to numerical analysis techniques, in particular RK2, I decided the best way to jump in is by using python to solve the well known mass-spring oscillator using RK2 techniques. My problem is ...
202 views

How to reuse permutation-orderings within scipy's SuperLU-wrapper?

i'm solving sparse linear equations within scipy 0.18 which internally resorts to SuperLU (after umfpack got removed due to license-issues). Current, i'm doing a complete re-factorization in each ...
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Clustering similar words and mapping to numbers in Python

I'm familiar with kmeans to cluster data points, but not text.. So I have one column of words in cvs format, which I want to cluster those which have similar word or more, and then mapping those ...
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scipy.linalg.sparse.eigsh does not work for generalised eigenvalues

I asked this question over at StackOverflow and someone told me that I'd get a better answer here. So here's my problem: I'm working on a machine learning project which involves doing a Principal ...
154 views

Is it worth switching to timesteppers provided by PETSc if I can't write down a Jacobian for my problem? Case study with “the amoeba” toy problem

I am considering using petsc4py instead of scipy.integrate.odeint (which is a wrapper for Fortran solvers) for a problem ...
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Stationary 2D/3D Navier-Stokes source code

Trying to solve stationary Navier-Stokes problem for incompressible laminar Newtonian fluid. I've found a couple solutions for instationary Navier-Stokes equations (like FeniCS examples or CFD Python)...
926 views

Newton Iteration method convergence

I wrote a Python code which solves a second degree nonlinear differential equation using the Newton iteration method. The code converges to a 2-cycle within 50 or so iterations. The cycle only ...
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Finite dimensional optimization problem over dynamical system

I am interested in solving numerically the following mathematical problem Consider an ode of the form $$\dot q(t) = f(q(t),t_1,\ldots, t_N),\qquad t\in [0,T],$$ where $q\in \mathbb{R}^n$ is the ...
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Numerically Approximating the Jacobian and Comparing the Eigenvalues With Analytical Form

I am trying to study the stability of numerical discretization schemes using the Jacobian matrix of the residues with respect to the vector of conserved variables. For a simple diffusion equation ...
29 views

Why does the correlation function of this stochastic differential equation starts at different points?

I am working with the following differential equation: The equation is $$x=\beta +\sqrt{2D} \xi(t)$$ where $\xi(t)$ is a white noise term, with a reflecting wall boundary conditions. After solving ...
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SDE solver in python: manual determination of integrator step size (dt)

Aim: I am trying to solve a system of SDEs, while using the SDEint package in python 3.x. It is a system of SDEs adapted from and inspired by the Zombie Apocalypse ...
154 views

Speeding up the solution of a large set of nonlinear algebraic equations in sympy

I have a quite large algebraic equation system to solve, the system is so large, I can't post the example here, so I am posting it to pastebin. The sympy.solve is ...
71 views

How to compute large condition number of a matrix in Python?

I have a matrix that is extremely singular, but I am still interested in computing the exact condition number, which is the ratio between the largest and smallest singular values. Is it possible to ...
383 views

Solve system of polynomial equations with Python

I have 5 at most 4th order polynomials in 5 variables, $$p_i(x_1,x_2,x_3,x_4,x_5) \qquad i = 1, \ldots, 5$$ where all coefficients are either rational or floating point. I'd would like to get the ...
168 views

Use of Morton Key to reduce number of grid points

I asked a question on Stack Overflow Performance Issue with VP Trees and Nearest Neighborsand I was not satisfied with the answer and so I thought I would reword my question for this site and post ...
350 views

Which solvers for BVP in python are the best? Is there something better that scipy.integrate.solve_bvp?

I am trying to solve a boundary value problem with Python. I have been using scipy.integrate.solve_bvp but the result that it is giving me is completely wrong. Basically my code is as follows: ...
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computing dual matrix trace norm and tensor gradient in python

I'm trying to write the following function in python:  f_\mu(\mathcal X) = f_0(\mathcal X) + \sum_{i = 1}^n \max_{||\mathcal Y_{i(i)}|| \leq1} \alpha_i\langle \mathcal X_{(i)},\mathcal Y_{i(i)} \...
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Finding integer/lattice points (coordinates) inside a polytope/polyhedra?

I am using Python but I wouldn't mind changing language. All I have gotten from my research are tools to count the number of (lattice) points inside a region given the equations for the planes that ...
221 views

Vectorised root finding in Python

I have an array of size (254, 80) which I am trying to use Scipy's fsolve on. I have found that the speed of using fsolve on a vector is quicker than it is in a for loop but only for vectors upto ...
I have a coupled nonlinear PDE system in 1 spatial dimension, in which I want to solve using FiPy. The dependent variables are $n$ and $T$: \begin{align} \frac{\partial n}{\partial t} \,&=\, D\,\...