Geometry Optimization Algorithms and implementations using Quantum ESPRESSO
So, I’ve been using Quantum ESPRESSO (QE) for a while now. And it’s relaxation (optimization) functionality as well. Now, although I had a…
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Category: Numerical Analysis Programming
Here you may find useful articles and programs on Numerical Analysis.
Determinant of the Hilbert Matrix – C PROGRAM
I have recently written a post that calculates the determinant of a given square matrix using the Gaussian elimination technique. In the last…
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Chi Square Minimization using initial guesses – C PROGRAM
Method # 1: Chi-square minimization Fitting a dataset (xi,yi,si) using a curve y=f(x)=a*exp(bx), where values of the parameters a and b are unknown,…
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Calculating Value of Pi using Monte Carlo Technique – C PROGRAM
Recently in my Numerical Techniques class I learnt a Monte Carlo technique to calculate the value of Pi . The procedure is really…
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Central Limit Theorem Demonstration – C PROGRAM
One of the fundamental theorems of probability is the Central Limit Theorem. This theorem says that if is the sum of mutually independent…
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Acceptance-Rejection Method (Rejection Sampling) for generating distributions- C PROGRAM
Acceptance-Rejection method can be used to produce random numbers following a certain probability density function. This is done by generating random numbers following…
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Polynomial Fitting – C PROGRAM
Okay, so here I am sharing a code for fitting a polynomial to a given set of data-points using the Least Squares Approximation Method(Wikipedia).…
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Exponential Fitting – C PROGRAM
In this post I will be showing you how to write a code that fits the data-points to an exponential function, like: where,…
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Linear Fitting – C PROGRAM
In this post I am sharing a C program that uses the least-squares approximation (also known as Chi square minimization) to find the…
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Simulate a DICE THROW – C PROGRAM
In the last post I wrote about how to generate random numbers in a given range: [min, max]. In this post we will…
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