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Recursion relations for integrating Gaussian functions

I'm trying to implement a numerical method used in quantum chemistry from scratch. I'm using this paper as a reference. It's also available on Sci-Hub. So, the method requires calculating integrals of ...
Dmitry Govorov's user avatar
2 votes
0 answers
455 views

Computing Singular Value Decomposition of small ($4\times 4$) matrices

I need to compute the Singular Value Decomposition (SVD) of many $4 \times 4$ matrices. I'm looking for SVD algorithms specialized for small matrices. I've read that the ...
mana's user avatar
  • 131
3 votes
1 answer
141 views

How to justify using available code (in different language) for comparing algorithms

I have proposed an algorithm for a scheduling problem in a submitting paper. In the revision, the reviewer asked us to compare with another algorithm from the literature. Our algorithm is in MATLAB, ...
Mostafa's user avatar
  • 133
4 votes
1 answer
2k views

MD Simulation: Reference for the Neighbor's List Method

With a rather basic knowledge in C++, I have written my own MD simulation code. Currently, I calculate forces in the most naive way: I go through all the atoms and account for their interactions. This ...
Ptheguy's user avatar
  • 207
1 vote
2 answers
1k views

LU decomposition of large dense matrices

I wanted to generate LU decomposition of large size dense matrices ($N>10^7$), the LU decomposition I'm currently using is based on Adaptive Cross Approximation and is taking very long time to ...
user7440094's user avatar
0 votes
1 answer
62 views

Passing in a vector from this particular matrix class floating around online [closed]

I am using this matrix class here to assist me in converting this Least Squares algorithm that prices American options that is written in Matlab in C++. My question is pretty simple. I want to pass in ...
Wolfy's user avatar
  • 295
0 votes
2 answers
265 views

Adaptive numerical integration of a univariate vector integrand

Background & Problem formulation I'm trying to write a simple program in C++ that performs adaptive numerical integration of vector valued integrands (in one variable), i.e. $$\int_a^b \bar{f}(...
DoubleTrouble's user avatar
1 vote
3 answers
400 views

Traveling Salesman Problem

First off some context. The Traveling Salesman Problem(TSP) is to find the most efficient route passing through a series of points only once. However, there is no perfect function to solve for this in ...
Arden Rasmussen's user avatar
5 votes
2 answers
2k views

How to implement adaptive mesh refinement using conformal triangles

I am trying to implement adaptive mesh refinement for a finite element code. The code uses (at least for now) linear triangles and so when I do the mesh refinement I want the triangular mesh to remain ...
James's user avatar
  • 1,929
3 votes
2 answers
5k views

C++ Library: What is the common libraries that do polynomial arithmetic?

I need to know what libraries (in C++) support polynomial arithmetic specially over a field. So I can give to it an array of coefficients of polynomial over a field and it returns the roots of ...
user13676's user avatar
  • 161
3 votes
0 answers
107 views

Bracket Algebra, Straightening Algorithm

My apologies if the question is simple. I need to write a code for straightening algorithm. Which includes defining bracket algebra. I tried to write it in CoCoA-5, but it wasn't possible because ...
Sepehr Jafari's user avatar
3 votes
1 answer
428 views

Computing the (non-convex) boundary of a set of paths between two points

I have a set of paths between two fixed points (marked in red below). Each of these paths consists of an ordered series of $\{x, y\}$ points (marked in blue). I am trying to find the ordered set of ...
metacubed's user avatar
  • 131
1 vote
1 answer
641 views

How to minimize the artefact of a cartesian to polar transform followed by a polar to cartesian transform?

I'm transforming cartesian images into polar images. (x,y) => (angle, radius) I fill the polar image by iterating on each of its pixels and filling them by doing the reverse polar transform. For a ...
Master of the Elephants's user avatar
0 votes
1 answer
9k views

Vertical and horizontal segments intersection (Line Sweep)

Introduction: I have a vertical segment S That i want to move across a plane (Left --> Right), and find intersections with horizontal lines. Problem : The problem which i am having is the following:...
Hani Gotc's user avatar
  • 175
3 votes
1 answer
74 views

Library for solving a linear selection problem in a distributed memory machine

I need to solve a very large O(10^10) linear selection problem in a distributed memory machine, is there any library that will solve it for me? In shared memory ...
gnzlbg's user avatar
  • 1,085