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| /* Numerically find the lowest energy bound states for a potential in 3D. | |
| This uses a uniform cartesian grid finite difference approximation, where a | |
| second-order accurate stencil is used for the Laplacian. | |
| Dirichlet boundary conditions are imposed. | |
| The eigenvalue problem is solved using Spectra (https://spectralib.org/), | |
| and Eigen (https://eigen.tuxfamily.org/index.php?title=Main_Page). | |
| If Spectra and Eigen are in the same directory as this file, compile with: | |
| clang++ -std=c++17 -O3 -I${PWD} -c energy_eigenstates3d.cpp; | |
| clang++ energy_eigenstates3d.o -o ees3d |
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| <!DOCTYPE html> | |
| <meta charset="utf-8"/> | |
| <meta name="viewport" content="width=device-width, initial-scale=1" /> | |
| <html> | |
| <head> | |
| <title>Pyodide Example</title> | |
| <script src="https://cdn.jsdelivr.net/pyodide/v0.29.0/full/pyodide.js"></script> | |
| </head> | |
| <style> | |
| * { |
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| """ | |
| Simple script to learn the basics of PySCF. This script computes | |
| the optimal geometry of a molecule, and then visualizes its electron | |
| density. | |
| Commands for installing the necessary modules: | |
| # Install PySCF | |
| python3 -m pip install pyscf |
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| import sys | |
| def xor_each_byte(input_fname: str, xor_key: int, output_fname: str): | |
| with open(input_fname, 'rb') as f: | |
| bytes_arr = bytes([b^xor_key for b in f.read()]) | |
| with open(output_fname, 'wb') as f: | |
| f.write(bytes_arr) | |
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| /* Bitonic sort. | |
| Compile and run with gcc ./bitonic_sort.c -O3 -o program; ./program | |
| Reference: | |
| Wikipedia - Bitonic Sort | |
| https://en.wikipedia.org/wiki/Bitonic_sorter | |
| */ |
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| """Two particles trapped inside a 1D box. | |
| This script is based on this article by Daniel Schroeder: | |
| https://physics.weber.edu/schroeder/quantum/EntanglementIsntJustForSpin.pdf | |
| as well as this accompanying interactive web page: | |
| https://physics.weber.edu/schroeder/software/CollidingPackets.html |
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| import numpy as np | |
| from scipy.fft import dst, idst | |
| from scipy.integrate import trapezoid | |
| import matplotlib.pyplot as plt | |
| import matplotlib.animation as animation | |
| # Constants | |
| N: int = 512 | |
| X = np.arange(0, N, dtype=np.float64) |
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| """ | |
| This script numerically solves the linear and nonlinear Schrodinger equation | |
| using the split operator method, and then shows a matplotlib animation of the | |
| results. | |
| References: | |
| Split operator method: | |
| James Schloss. The Split Operator Method - Arcane Algorithm Archive. | |
| https://www.algorithm-archive.org/contents/split-operator_method/ | |
| split-operator_method.html |
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| /* Numerically solve for the time-dependent Schrodinger equation in 2D, | |
| using the split operator method. To build and run, type: | |
| rustc qm2d_split_op.rs | |
| ./qm2d_split_op | |
| This will output a series of bmp images which show each frame of the | |
| simulation. | |
| References: |
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