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Error analysis of Modified Lentz's method

In Numerical Recipes, the authors state: There is at present no rigorous analysis of error propagation in Lentz’s algorithm. This statement is now ~15 years old, so I wonder has this gap in the ...
51 views

How to use cumtrapz correctly?

I have tried to do a trapeze integration with f(x)=x^2, where I know how the antiderivative looks like, so F(x) = (1/3)x^3 Here's my code, just like I tried: ...
46 views

Some formulations of domain coupling lead to saddle point problems. Is this merely an artifact?

Background I wanted to learn how to couple FEM and BEM (for the Poisson equation), because I wanted to better understand how open boundary conditions look like. Therefore I worked through the relevant ...
23 views

How to connect two cylinders to form a knee in Comsol Multiphysics?

I have this I want it to be single bended wire. How to accomplish?
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535 views

Split-step Fourier method applied on Schrodinger equation

I'm trying to solve a Schrodinger equation of the form $i\frac{\partial}{\partial t}\psi=-\frac{\partial^2}{\partial x^2}\psi + (V(x)+\alpha|\psi|^2)\psi$ using the split-step Fourier method ...
81 views

Compute Nullspace of Sparse Matrix

I am computing the nullspace of a sparse rectangular $m$ x $n$ matrix $A$, where $m$ << $n$. I do this by computing the QR decomposition of $A^T$ and extract the $n-m$ right-most columns of the ...
9k views

Good examples of “two is easy, three is hard” in computational sciences

I recently encountered a formulation of the meta-phenomenon: "two is easy, three is hard" (phrased this way by Federico Poloni), which can be described, as follows: When a certain problem is ...
82 views

Is the matrix exponential and the Jordan canonical form actually useful for solving differential equations?

All of my yearlong graduate-level Linear Algebra course notes from my professor—an algebraist/representation theorist—shows his love for the exponential map $e^A$ and the Jordan canonical form—and one ...
9k views

Are there any embarrassingly parallel tasks that require a CPU rather than GPU?

I am looking for tasks that are unsuitable for GPUs gain significant speedup as more CPU nodes are added don't require large data transfer or inter-thread communication between nodes. Do any ...
51 views

Applying the result of Cuthill-McKee in SciPy (followup)

This is a followup to Applying the result of Cuthill-McKee in SciPy , where I'm not sure the answer given is correct. It's also 4 years old, so I'm trying a new question. The question is still ...
64 views

64 views

Dealing neighbor list in NVT Monte Carlo (MC) simulation

I'm making a NVT Monte Carlo (MC) simulation code with only short range interaction. I found many MC tutorial codes (usually Lennard-Jones system) in online. However, most of them are doing energy ...
35 views

Numerical calculation of the Berry connection

I'm doing some numerical calculations involving Hermitian matrices, and derivatives of the eigenvectors. Essentially, I have an n x n, Hermitian matrix H(x), which is dependent on some continuous ...
88 views

Accurately Computing a Positive Vector in the Nullspace of a Matrix

I'm sure this question has been asked before yet after many hours of searching I am unable to find a definitive answer. The problem at hand is solving the linear system: $$A \mathbf{x} = \mathbf{0}$$ ...
127 views

Red flags for numerical computing?

I've learnt the hard way that you should avoid: computing small numbers as the difference of two large numbers evaluating chaotic functions with imprecise inputs. Are there any other red flags a ...
95 views

Abstract I have the next equation to find a force, for my problem: $$U=-\int \vec{m}\small{(x)}\times \vec{B}(x)dV$$ $$\vec{F}=-\nabla U$$ Considering 3-dimensional space with x,y,z coordinates, ...
15 views

How to multiply 2 decision variables and a matrix using python

So, basically our agenda is to assign tour guides to tour groups based on this equation and that will be done by these 2 decision variables z(u,g) and y(g,p) where z(u,g) will be 1 if tour guide 'u' ...
26 views