Stack Exchange Network

Stack Exchange network consists of 174 Q&A communities including Stack Overflow, the largest, most trusted online community for developers to learn, share their knowledge, and build their careers.

Visit Stack Exchange

Questions tagged [python]

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

0
votes
0answers
13 views

Determining the pseudo-time period of a system of $n$-pendulums via Kane's method in Python

We can use Kane's method to integrate the equations of motion for a system of $n$ pendulums with arbitrary masses and lengths (see derivation). In particular, if $(x_i,y_i)$ denotes the Cartesian ...
0
votes
1answer
69 views

Poincare map for Arnold-Beltrami-Childress Magnetic Field in Python

I want to plot the Poincare map for Arnold-Beltrami-Childress magnetic field for parameters $A=1, B=0.816, C=0.5773$ in Python for the Poincare section $z=0$. Also, I am not able to understand what ...
-1
votes
0answers
10 views

Use data from VRML 2.0 UTF-8 file to make a 3D representation of object with mplot3d

I have a VRML file with three types of data, points; normal-vectors; coordIndex. I have successfully, using re, imported the data into Python. I thought I had a way of using this data to make a nice ...
7
votes
6answers
5k views

Python implementations of Gillespie's direct method

I'm looking for a decent implementation of Gillespie's Direct Method in Python, as if I code the algorithm myself I'm nigh positive I'll do it inefficiently. Anyone have a favorite?
8
votes
2answers
893 views

Minimum path on known potential surface

I'm searching for the minimum path between the minima of a potential surface that is already known on a grid. (source: http://www.math.nus.edu.sg/~matrw/string/) Any point on the path is at an ...
0
votes
1answer
47 views

Python Finite Difference Schemes for 1D Heat Equation: How to express for loop using numpy expression

Hello all, I've recently been introduced to Python and Numpy, and am still a beginner in applying it for numerical methods. I've been performing simple 1D diffusion computations. I suppose my ...
1
vote
1answer
169 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 ...
0
votes
1answer
152 views

Numerical Sensitivity in Density of States of Tight-binding model

I'm working with the tight-binding model, and I'm trying to learn the basics of how to compute the Density of States (DOS) $N(E)$ numerically. The DOS is given by $$N(E) = \frac{1}{N}\sum_k \delta(...
3
votes
1answer
80 views

Golub-Kahan-Lanczos Bidiagonalization Procedure implementation doesn't produce bidiagonal matrix

I'm trying to implement the aforementioned procedure using this website as a reference. At the end of the page the algorithm is described as follows: I think I've mapped the given algorithm to code ...
2
votes
1answer
40 views

Question about strange outputs from the CVXPY solver

I am familiarizing myself with CVXPY, and encountered a strange problem. I have the following simple toy optimization problem: ...
0
votes
1answer
60 views

How to cope with the following singularity

I have the following integral: $\int_{1}^{Xd} \dfrac{(X^{z_i}-1)}{[X^2 \sum_{l=1}^{N}c_l(X^{z_l}-1)]^{1/2}}dX = \int_{1}^{Xd} h(X) dX$ where: Xd is a real that can be either negative, positive or ...
1
vote
0answers
57 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 ...
0
votes
1answer
76 views

Solving advection equation - periodic conditions - using roll python function [closed]

The original post was on stackoverflow : I transfert it here. I have to solve numerically the advection equation with periodic boundaries conditions : u(t,0) = u(t,L) with L the length of system to ...
1
vote
0answers
33 views

Algebraic recursion of Hermite polynomials in SymPy [closed]

I want to obtain the algebraic values of, for example, Hermite polynomials using SciPy but in a recursive manner. Using Maple, for example, these can be defined as ...
2
votes
3answers
181 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 $...
0
votes
1answer
13 views

Numpy: How to permute array into indices of larger array? [closed]

I have an array of length L with N zeros, and L-N non-zero values. I have another array of length N. I would like to put the values of the shorter array into the positions of the longer array which ...
2
votes
0answers
60 views

2d wave equation with finite differences blowing up

I am (naively) trying to solve the 2d wave equation with finite differences. But the system blows up instantly. For simplicity I set the constant $c=1$, then I am left with $$\Delta u =u_{tt}.$$ I ...
0
votes
1answer
63 views

Applying neumann boundary conditions to diffusion equation solution in python [duplicate]

For the diffusion equation $$ \frac{\partial u(x,t)}{\partial t} = D \frac{\partial ^2 u(x,t)}{\partial x^2} + Cu(x,t) $$ with the boundary conditions $u(-\frac{L}{2},t)=u(\frac{L}{2},t)=0$ I've ...
1
vote
0answers
83 views

Smallest circumscribed circle in spherical geometry

I work in Python 3 on astrophysics projects. I need to compute the smallest circumscribed circle of a set of points in the sky (so described by Right Ascension and Declination). I have found a code ...
1
vote
1answer
133 views

Double potential well with Python

I'm trying to understand the Schrödinger equation and solving it a bit better, and I'm running into some doubts while coding, even though I am adapting the code to this situation. Also I tried asking ...
2
votes
1answer
361 views

How to convert MPIAIJ to SEQAIJ matrix in petsc/petsc4py?

I am curious, if there is a function to convert MPIAIJ (distributed matrices in AIJ format) to a SEQAIJ matrix that lie on a single processor. It is possible to do such an operation for PETSc vectors ...
6
votes
1answer
712 views

FEniCS: how to access coordinates when writing an equation for a trial function

I need to solve the following equation in FEniCS: $$ \boldsymbol{\nabla} \cdot \begin{pmatrix} f(y)\frac{\partial u}{\partial x} - g(x,y)\frac{\partial u}{\partial y} \\ - g(x,y)\frac{\partial u}{\...
2
votes
1answer
153 views

Solve 3-D Heat equation with Neumann boundaries

I want to solve the Poisson PDE for heat flow in a 3-D solid cube with given dimensions $x$, $y$, and $z$: $$\rho C\frac{\partial T}{\partial t} = k \Delta T$$ The cube is irradiated with a constant ...
1
vote
1answer
254 views

Interatomic distance-periodic boundary conditions-non cubic unit cell

I am trying to find interatomic distance considering periodic boundary conditions for hexagon cubic cells (graphite). I tried to follow the answers to these two questions here but am unable to get the ...
6
votes
2answers
189 views

Recommended language/environment for large scale semi-continuous biological models

We have a fairly large (maybe 1000 equations) differential-algebraic equation model written in ACSLX, an obsolete modelling environment similar to Modelica. The model represents the evolution of a ...
8
votes
3answers
3k views

fmincg implementation in Python

I'm trying to re-implement Neural Networks in Python. I implemented the cost function and the backpropagation algorithm correctly. I have checked them by executing its Octave equivalent code. But ...
3
votes
0answers
106 views

Computing Small Eigenvalues with Sparse Symmetric Indefinite Mass Matrix

I want the eigenvalues of the following generalized eigenvalue problem: $$ Av = \lambda M v $$ where $A\in\mathbb{R}^{n\times n}$ is sparse, symmetric, and positive semi-definite $M\in\mathbb{R}^{n\...
2
votes
1answer
510 views

Solving a system of quadratic equations in Python

I'd like to solve numerically a system of quadratic equations: $A_{11}x_1+A_{12}x_2+A_{13}x_3+B_{12}x_1x_2+B_{13}x_1x_3=C_1$ $A_{21}x_1+A_{22}x_2+A_{23}x_3+B_{21}x_2x_1+B_{23}x_2x_3=C_2$ $A_{31}x_1+...
1
vote
0answers
148 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 ...
1
vote
1answer
73 views

Calculate partial trace of an outer product in Python?

I have a python implementation of calculating the partial trace over select dimensions. ...
1
vote
0answers
75 views

Showing date in Paraview's Annotate Time Filter

I have a time dependent data set where each frame corresponds to a certain date. I need to show the time annotation, much like what Annotate Time Filter does, but show the date instead of time as a ...
6
votes
2answers
2k views

Updatable SVD implementation in Python, C, or Fortran?

I would like to do evolving factor analysis using the SVD: Given $m \times n$ data matrix $\mathcal{A}$, and for each $i$ from 1 to $m$, I want to calculate the singular values of: $$\mathcal{A}\...
3
votes
2answers
169 views

Integration of the Fermi distribution using Python

I want to calculate the carrier concentration of my semiconductor using this equation: $$ n(x) = \frac{m^*}{\pi\hbar^2}\int_{E_k}^{\infty}\frac{1}{1+\exp\left(\frac{E-E_f}{k_BT}\right)} \mathrm{d}E $$...
-1
votes
1answer
44 views

Is it possible to partition 2D data into bins such that each bin contains the same number of samples?

I am trying to sort data following a bivariate distribution into a numpy histogramdd, where each bin should contain the same number of data points (to the nearest whole sample). I expect that some ...
3
votes
1answer
159 views

How to transform this SOCP to the format required by cvxopt

I'm new to SOCP and want to try to get familiar with the format and how to solve it with cvxopt in python. However, for a simple toy example I'm struggling to get ...
4
votes
0answers
70 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 ...
0
votes
1answer
297 views

How to efficiently solve a QCQP with “dynamic” constraints in Python?

I want to solve a QCQP in Python. It is a problem from finance: maximise return (linear function) given some linear constraints and one quadratic constraint that turns it into a QCQP. Formally, $$\...
1
vote
1answer
81 views

Piecewise-Linear Quadratic Optimization for an “Almost Convex” Problem

I have a 7-14 dimensional piecewise linear cost function I'd like to minimize with two quadratic terms of the form: $$ f(X) = X^tCX + d \sum_i |x_i-x^*_i|^2 + \sum_i P_i(x_i-x^0_i) $$ $$ \sum_i x_i ...
4
votes
1answer
135 views

Solving for a set of coupled ODEs to get correct variable values

My question is about how I can solve a coupled system of ODE's, and print out the variables in a plot. I am solving for an q value and an e value, seen in this set of coupled ODE's below: $$ \begin{...
12
votes
2answers
3k views

Why does Matlab's integral outperform integrate.quad in Scipy?

I am experiencing some frustration over the way matlab handles numerical integration vs. Scipy. I observe the following differences in my test code below: Matlab's version runs on average 24 times ...
0
votes
1answer
117 views

Python - Fitting a function to data without using Scipy

I'm trying to write a program in python which doesn't need to use extra packages like numpy and scipy. In one part of the project, if I can interpolate a function to a set of data, I can save ...
0
votes
0answers
173 views

Using gmsh python api for meshing a model with grouping elements by their volumes and surfaces

I am trying to use GMSH python api for creating 2d meshes of cad formats. I managed to write a script that can generate mesh successfully. However I need to know how elements are separated across ...
10
votes
3answers
1k views

Are there any “light-weight” FEM packages around?

Basically, FEM seems to be a problem that is pretty much "solved". There are numerous powerful frameworks existing, like Trilinos, PETSc, FEniCS, Libmesh or MOOSE. One thing they have in common: They ...
3
votes
0answers
73 views

Inconsistency in optimize.minimize

I am trying to fit a time-dependent curve at each time step. I do so in minimizing along $x_c$ the quadratic error between the curve and a reference solution $ 1/(1 + \exp\left(\sqrt{S}(x-x_c)\right) $...
1
vote
4answers
2k views

Computing the Madelung constant

I am self teaching myself python and computational physics via Mark Newmans book Computational Physics the exercise is 2.9 of Computational Physics I have to compute the Madelung constant. . I have ...
2
votes
1answer
190 views

Probability of reconstructing a word using c substrings from a random sample

Consider a voice recording split into it's phonemes as our sample $S=(s_1,...,s_k) \in \Omega = P^k$. The number of phonemes is $|P| = 40$. Then I have a word $w = (w_1,...,w_n) \in P^n$. I want to ...
11
votes
2answers
4k views

Solving a least squares problem with linear constraints in Python

I need to solve \begin{alignat}{1} & \min_{x}\|Ax - b\|^2_{2}, \\ \mathrm{s.t.} & \quad\sum_{i}x_{i} = 1, \\ & \quad x_{i} \geq 0, \quad \forall{i}. \end{alignat} I think it is a ...
3
votes
1answer
54 views

why am I not getting a staircase for the rotation number?

I'm trying to understand the staircase map. Look at this map from the circle to itself: $$ x \stackrel{F}{\mapsto} \big[\omega + x + \tfrac{\epsilon}{2\pi} \sin (2\pi x) \big] \pmod 1 $$ Such a map ...
2
votes
1answer
83 views

Artificial neural networks for Temperature prediction

Imagine I want to consider the temperature for a process given several input varibales. The temperature can be anywhere between 400 and 500 K. Consider I have experimental data to train the network ...
2
votes
1answer
42 views

FFT of “implicitly” uniform data

I am trying to take a Fourier transform of a density field estimated from mock galaxy survey catalogs. Basically, you start with a list of galaxy positions, then you bin these positions over some ...