Questions tagged [python]

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

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How to get ODE solution at specified time points?

The code below basically illustrates my problem. It is a test code for a pendulum. I solve it using a method suggested on https://stackoverflow.com/questions/12926393/using-adaptive-step-sizes-with-...
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1answer
751 views

Poor SVD reconstruction of singular matrix

I am trying to calculate the singular value decomposition of this matrix using numpy.linalg.svd . However, reconstructing the matrix from the SVD gives a poor ...
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4answers
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LCM builtin in Python / Numpy

I can write a function to find LCM (lowest common multiple) of an array of integers, but I thought it must have been implemented in numpy or scipy and was expecting something like ...
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3answers
9k views

How to implement Gauss-Laguerre Quadrature in Python?

To get the hang of Gauss-Laguerre integration I have decided to calculate the following integral numerically, which can be compared to the known analytical solution: \begin{align} \int_0^{\infty} s^...
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2answers
721 views

literature on scientific computing

Maybe, this is a dump question. But anyway. I developed a finite difference code for a class of problems in dynamo theory. I used GNU Octave (MATLAB) which is good for testing. The problem size ...
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2answers
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Consistent handling of division by zero in numpy array

I want to populate a numpy array with values from the smooth bump function f(x) = exp ( - 1 / (1 - x^2) ) if |x| < 1, f(x) = 0 otherwise Currently I ...
4
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3answers
166 views

I wrote a 2D Finite Element program for Axial Loaded Plates, but the results are unexpected

TLDR: I used Python to write a 2D Finite Element program using 'Constant Strain Triangles' and my beam keeps pointing slightly upwards instead of straight sideways (like the force). I'm new to FEA and ...
4
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2answers
4k views

Numerical evaluation of a Gaussian Integral in Python?

Goal I'm trying to write code to compute the normalized Gaussian in the following, $$ \begin{equation} \int_{-\infty}^{\infty} \frac{1}{ \sigma \sqrt{2 \pi}} \exp\bigg( - \frac{(x - \mu)^{2}}{2 \...
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1answer
353 views

Imposing special structure on Positive Semi-Definite matrix

I am trying to implement the algorithm described in reference 1 using cvxpy. However I am struggling to constrain the matrix $Z_j$ as described in equations (33-35)....
4
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1answer
100 views

How to evaluate a series of derivatives?

Consider the function $$f(\mathbf{x}) = \sum_{n=0}^{N} a_n \left( (\mathbf{b}-\mathbf{x})\cdot \nabla \right)^n \frac{1}{r}$$ where $r = |\mathbf{x}| = \sqrt{(x-x_0)^2 + (y-y_0)^2}$ and $a_n$ and $\...
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2answers
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scipy odeint: sum of conservative ode equations does not remain zero as it is being solved -- is this normal?

Let us say we have the following equations: dy1/dt = f(y1, t) [1] dy2/dt = g(y2, t) [2] The equations are such that they are "conservative", i.e. the ...
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2answers
280 views

Writing a programming code directly from the mathematical formula?

For using any programming language, a mathematical formula should be written in the corresponding code. I wonder if there is any service (for any programming language, Matlab, Mathematica, Python, etc)...
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1answer
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Fenics, initialize vector of degrees of freedom for function

With the move away from launchpad I hope this is the right place for this question. Is there a way to initialize the DOFs for a function? generated by u = Function(V) When I run a code which I ...
4
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1answer
234 views

Imposing no flux boundary conditions on variants of the Cahn-Hilliard equation using Finite Differences in Python

I have been looking into simulations of phase separation in variants of the Cahn-Hilliard system and have been running into issues with implementing no flux boundary conditions on certain variants. ...
4
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1answer
287 views

Absence of Discontinuity in Specific Heat Plot Simulated by Ising Model

I am working on 2D Ising model, when I plot "specific heat vs temperature", I can't see any discontinuity at critical temperature around Tc ~ 2.7K. I am enclosing results of all other thermodynamic ...
4
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1answer
163 views

Do most statistical packages and libraries in high-level programming languages rely on LAPACK for their matrix inversion operations?

Possible an open-ended question, but I am wondering if most statistical packages and libraries, for instance, Stata, R, Python's NumPy and MATLAB rely on LAPACK algorithms to perform matrix operations,...
4
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1answer
355 views

Improve Mandelung constant code

I'm learning and improving my Python skills. I did a program in Python about Mandelung constant. But, I'm having kind of a problem. The Mangelung constant is calculated using this sum: $$ V_{total} =...
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2answers
614 views

ODE system with discontinuous right-hand-side

I have a 1st order ODE system. One of the equations is piecewise function of 2 of the dependent variables. I try to solve it in Python environment. \begin{align}\dot x_1 &= x_2 - x_3\\ \dot x_2 &...
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1answer
1k views

What determines the usual chemistry textbook plots of atom orbitals?

In elementary chemistry textbooks you often have pictures like the following one: Are there any conventions how to get them? I am not sure, but I guess that it are contour plots with only one iso-...
4
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1answer
101 views

divide an array using a changing length sequence of boolean var as index

i have an array of boolean variables. The array has a sort of structure, it's formed of many sequences of zeros and ones, sequences of different length. such as: [...
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2answers
249 views

Meshing surface of a sphere with a subdomain

I am trying to build a triangle mesh of the surface of a sphere which also includes a subdomain defined by a 'polygon'. Here is a successful example (subdomain defined by the red dots): Note that the ...
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4answers
486 views

Find representatives of vector-space in set of vectors?

Suppose I have a multi-dimensional vector space $X$, and a collection of $n$ vectors $\{x_i\}_{i=1}^n \subset X$, which are not evenly "spaced-out" in $X$. I am searching for $m<<n$ of these $...
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1answer
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Python: Grid with step control ODE solver

I have a problem in physics formulated via an ODE. Now I like to solve it numerically using Pythons scipy.integrate and the therein complex_ode. I figured out how and it works but now I like to ...
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2answers
13k views

plotting a 2D animated data surface on MatPlotLib

I'm trying to get an animated 2D data surface on MatPlotLib. After a bit of search on the internet, i've found an example that almost works: ...
4
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1answer
377 views

Can I solve a model in GEKKO with Black Box, Simulated Annealing or GA solvers?

I'm trying to use my current GEKKO model with different solvers methodologies. I don't know if I can also use global optimisation solvers as GA, Simulated Annealing o Differential Evolution. I need ...
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1answer
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Using scipy.optimize to implement a neural network with back propagation

My problem is something similar to this. I'm trying to implement a (Neural Network) Cost function, Back propogation algorithm in Python. The Neural Network has 3 layers. Hence 2 parameters to optimize ...
4
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2answers
209 views

Storing large amounts of interpolation data

Overview and Prior Research I am looking for a way store a (in principle arbitrarily) large "3D-table" for interpolation/ lookup in combination with python. I have considered CSV files, but,...
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1answer
221 views

Backwards Difference Implicit Method for Nonlinear Parabolic PDE in Python

Original Stack Overflow Question: https://stackoverflow.com/questions/65683788/indexerror-index-31-is-out-of-bounds-for-axis-1-with-size-31?noredirect=1#comment116218335_65683788 PDE: u_t = u_xx + u(...
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1answer
2k views

Unwrap cylinder to plane in Paraview

I want to extract the data from the boundary surface of a cylinder (in a .vtu file) and plot it onto a plane, where the coordinates are theta (rotation angle) and Z(...
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1answer
614 views

Organizing a CFD program written in python

I've spent some time writing a spectral element solver aimed at solving fluid flow problems concerning the motion of self-propelled bodies. I've gotten to the point where the code has grown long ...
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2answers
668 views

Finding the minimum hamming distance between a bit vector and any pairwise intersection of multiple bit vectors

I'm looking for a way to optimize this procedure. This is the problem: I have a list of bit vectors $\mathbf{A} = [ a_1, a_2, a_3, ..., a_n ]$ I have a list of bit vectors $\mathbf{B} = [ b_1, b_2, ...
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1answer
145 views

compute max(||u||) for vector field

Given a vector-valued Dolfin function u from the function space V*V with ...
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1answer
105 views

Computation of the tensor of curvature on surface mesh

Is there a formula which enables the computation the tensor of curvature knowing the following at each vertex and cell of a triangulated mesh: Normal vector Two arbitrary vectors in the tangent space ...
4
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1answer
289 views

Efficiently generate a random subgraph (Gs) with maximum degree K, using only edges from an existing graph G

I am looking find a way of efficiently generating a random, undirected subgraph $G_s$ with $N$ vertices, using a subset of edges from an exisiting undirected graph $G$, also of size $N$, where the ...
4
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2answers
107 views

How to read the number of periods of this complicated graph?

I have two data sets that are quasi-periodic. They have the same period and can be seen clearly by eye. For example when $x\in(100,200)$, both of them have about 32 periods. Below is a zoom-in of the ...
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1answer
1k views

Numerically solve a PDE in Python with a term calculated by coarse-graining

I'm trying to solve a PDE in Python of the form, $\dfrac{\partial c(\mathbf{x}, t)}{\partial t} = \mathrm{D} \nabla^2 c(\mathbf{x}, t) -\gamma \rho(\mathbf{x}, t) c(\mathbf{x}, t)$ where $c$ ...
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1answer
2k views

TypeError from scipy.optimize.curve_fit

I am trying to fit a data set to an exponential model using scipy. However, the covariance matrix that is returned is 'inf' and I receive the following error: Traceback (most recent call last): ...
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0answers
56 views

Solving multiple linear regression in parallel

I am working on a problem where I need to solve approximately 500 Million Linear Regressions (OLS). What would be the most efficient way to do this (e.g. using GPU or a some framework that can do this ...
4
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1answer
654 views

FEM Python book

Is there any book or site available with Finite element Method for partial differential equations with python code apart from Fenics?
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0answers
553 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 ...
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0answers
478 views

Large meshing with tetgen [closed]

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 ...
4
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0answers
415 views

Iteratively finding both left and right eigenvectors for non-symmetric complex matrix

I have a complex, non-Hermitian matrix $\mathbf{A}$, for which I need to find a few eigenvalues and eigenvectors in the generalised eigenvalue problem: $$\mathbf{A}\cdot \mathbf{x} = \lambda \mathbf{...
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1answer
2k views

Analytic solution 2D scalar wave equation in cylindrical coordinates numerical implementation

I am trying to compare my finite difference's solution of the scalar (or simple acoustic) wave equation with an analytic solution. For that purpose I am using the following analytic solution ...
4
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1answer
2k views

Find / Detect / Enumerate all Cliques or Independent Sets

What are generally best choices for enumerating all k-cliques (or independent sets of size k)? The graphs I am looking at probably won't have more than ~ 100 nodes. Presently I code in Python with ...
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2answers
440 views

CUDA & Python for numerical integration and solving differential equations

Can anyone please suggest some libraries which allow use CUDA in Python for numerical integration and/or solving of differential equations? My goal is to solve large (~1000 equations) of coupled non-...
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2answers
872 views

Computing numeric derivative via FFT - SciPy

I wrote the following code to compute the approximate derivative of a function using FFT: ...
3
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2answers
1k views

Generate random smooth 2D closed curves

I would like to know how can I generate a collection of random 2D closed smooth curves. I thought about generating a random 3D surface with random peaks, and then intersecting the Z=0 plane with it, ...
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4answers
1k views

Numerical integration in Python with unknown constant

I’d like to solve the below equation for the unknown $T$: $$\int_0^\infty \frac{x^2}{\exp\left(\frac{x}{T}\right)-1}\kappa_x \mathrm{d}x = C,$$ where $C$ is a known constant and $\kappa_x$ is some ...
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2answers
2k views

Integration of the Fermi distribution using Python

I want to calculate the carrier concentration of my semiconductor using this equation: $$ n(x) = \frac{m^*}{\pi\hbar^2}\int_{E_k}^{\infty}\frac{1}{1+\exp\left(\frac{E-E_f}{k_BT}\right)} \mathrm{d}E $$...
3
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1answer
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Comparing Algorithmic complexity, ODE Solvers (Big O)

I am currently using the following three methods to solve differential equations: 4th order Runge Kutta Method Euler Method Internal scipy methods: ...

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