Performing SYMBOLIC/ANALYTICAL Integration or Differentiation using PYTHON [TUTORIAL]
DEMO CODE: YouTube Tutorial [wpedon id=”7041″ align=”center”]
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Solving a System of Linear Equations using Python
In this brief blog post I post a small code that can be used to solve a system of linear equations using SciPy…
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Matrix Operations in Python using SciPy
In this blog post, I demonstrate a Python code, that shows how to perform various matrix operations such as: 1. Defining a matrix,…
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Non-linear Curve Fitting using Python
In this post, I show a sample code along with a YouTube tutorial that can be used to fit a set of data-points…
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Nanocluster Global Optimization using CALYPSO and Quantum ESPRESSO
Get a license for CALYPSO by going to this page and filling out the form. Then download the latest CALYPSO package as well…
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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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X-Ray Diffraction (XRD) Pattern Simulator [C Program] Ver. 2 [Tutorial]
This is the third and the final post on my series on writing a Powder XRD pattern (diffractogram) simulator from scratch using C.…
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Structure Factor Calculator [C PROGRAM]
This is the second post in the series of my posts on how to write an XRD Pattern simulator using C. In the…
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Atomic Form Factor Calculator and Table
If you follow my blog, then you’d probably remember how I tried to write a powder X-Ray diffraction (XRD) pattern simulator quite a…
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Bulk Modulus calculation using Quantum ESPRESSO
Tutorial Quantum ESPRESSO has a package called ev.x that can be used to calculate the bulk modulus of a material. ev.x basically offers…
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