# All Questions

7,609 questions
2answers
121 views

### Condition number of a matrix

I saw some definition that if $$M=\max_{x\not=0} \tfrac{\|Ax\|}{\|x\|} \quad\text{and}\quad m=\min_{x\not=0} \tfrac{\|Ax\|}{\|x\|} \,,$$ the condition number of $A=M/m$. In my opinion, If we have a ...
1answer
102 views

### Can OpenFoam be used for interactive simulations (flying a plane)?

I'm a software engineer and I've just started to fly rc-planes. I'm currently building a self learning auto-pilot for my plane and I'm really interested in CFD. I installed OpenFOAM and ran through ...
1answer
76 views

### How to choose a python parallelization library?

I want to preprocess a relatively large dataset using python. I implemented some Dask parallelization and was stunned by the time reduction. I figure there are other libraries or frameworks I could ...
1answer
88 views

### calculating integral for an ODE system

I have an ODE system defining a mathematical model of a biological system, say $$\frac{da}{dt}=f_1(a,b,\ldots,z,p)\\ \frac{db}{dt}=f_2(a,b,\ldots,z,p)\\ \cdots\\ \frac{dz}{dt}=f_n(a,b,\ldots,z,p)$$ ...
1answer
103 views

3answers
1k views

### C++ Best practices for dealing with many constants, variables in scientific codes

I am developing a code to simulate fluid flow with biological substances present in the flow. This involves the standard Navier-Stokes equations coupled to some additional biological models. There are ...
1answer
36 views

### ISING2D with Mathematica. Searching a correct way to compute the heat capacity (mean values over several iterations)

I'm trying compute the heat capacity $C_v$ out of my simulation for the 2D-Ising model which is given by $C_v = \frac{\langle E^2 \rangle - \langle E \rangle^2}{T^2N^2}$ ($E$: Energy, $T$: ...
1answer
38 views

### Visualizing a trajectory in VMD

So, I've written a short python program simulating diffusion in 2D; in essence each particle is behaving like a random walker. The output is a 3D tensor, which for 4 particles and 10 timesteps, looks ...
1answer
53 views

### Debugging Newton-method used in a CG-approach

I am currently proof-checking my program, which is intended to use Newton's method for solving nonlinear equations, using a continuous galerkin approach. Thus, as first step I checked it using a time-...
1answer
117 views

### Heat diffusion - Is this the correct approach to include Newmann boundary conditions?

Thank you for looking at this problem. Is this the correct approach to include neumann boundary conditions? With this solution temperature is not correct, and there´s no diffusion. The model seems ...
1answer
38 views

### How to choose the parameters for a collision free comet trajectory

I implemented a simple simulation of a comet flying through space being deflected by the gravity of randomly generated planets for art purposes. My problem with that simulation is, that there are many ...
1answer
70 views

### Numerical integration of Fokker-Planck equation allowing for negative drift?

The Fokker-Planck equation (a.k.a Kolmogorov forward equation or Smoluchowski equation) describes the evolution of a probability density function and numerical integration of the FPE should conserve ...
3answers
160 views

### What is the reason that LAPACK uses $\tau$ in QR decomposition (instead of normalizing the reflection vector)?

LAPACK's QR routine stores Q as Householder reflectors. It scales the reflection vector $v$ with $1/v_1$, so the first element of the result becomes $1$, so it doesn't have to be stored. And it stores ...
1answer
183 views

### Size of jump for piecewise discontinuous approximations

If one has a sufficiently smooth function $u$ that is approximated by a piecewise constant function $u_h=\Pi^0_h u$ on a mesh of cell size $h$ (where $\Pi^0_h$ is the $L_2$ projection onto the ...
1answer
73 views

### Node renumbering in a 2D mesh

I have a 2D domain which is discretized using Q4 elements. I have the nodal positions and the element connectivity matrix. I would now like to renumber the nodes in such a way that all the interior ...
2answers
112 views

### How I could calculate L2 norm of an unstructured grid?

I want to calculate L2 norm of a 3D unstructured grid to compare my simulation results in two different mesh sizes as coarse and fine. I read this answer and it seems in three-dimensional space, I ...
1answer
86 views

### How to generate a face list from vertices?

I have a little background in writing toy finite volume CFD codes. In 2D Cartesian scenarios, I typically take $x_{\min}$, $x_{\max}$, $y_{\min}$, $y_{\max}$, and the number of points in $x$ and $y$ ...
1answer
107 views

1answer
71 views

### Minimize a function with sparse Hessian

The problem I am trying to solve involves minimising a function with respect to a large number (probably 10,000+) of parameters. I can cheaply compute both its Jacobian and its Hessian. The Hessian is ...
0answers
48 views

0answers
27 views

### Hydrogen-like wavefunction as starting guess for atomic solver?

I've been looking into radial solvers for quantum wave equations (Schroedinger and Dirac). In both cases, the suggestion seems to be to go with the "shooting method", with integration schemes of ...
1answer
39 views

### Formulate and solve a simple conic programs in cvxpy language [closed]

Let $r,\epsilon > 0$ and $a, b \in \mathbb R^n$ with $\|a\|_2 \le r$. Define $C(a) := \{x \in \mathbb R^p | \|x+a\|_2 \le r,\;\|x\|_\infty \le \epsilon\}$, and assume it is non-empty. Question (A)...
1answer
62 views

0answers
82 views

### Best way to numerically compute elliptic integrals of the third kind with complex arguments?

I need to compute elliptic integrals of the third kind with complex arguments, preferably in C++. Is there code out there to do this? I have discovered the Arb library, but that does much more than I ...
2answers
91 views

### Analytical convergent sequence and numerical divergent sequence

Is it possible to construct a sequence that converges in theory but when computed numerically with a computer program is diverging. I feel that today our computer programs doesn't allow such ...

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