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"Computational modeling and visualization" resource repository

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book cover

Computational modeling and visualization with Python (Wiley, 2016)

GitHub project page. J Wang

The latest source programs, library and data files for the book are deposited here and athttps://jwang.sites.umassd.edu/

  • Sep. 2017: Jupyter vpython notebooks (.ipynb) are added next to the standard programs (.py), in addition to the archive containing all notebooks (Jupyter_vpython/VPython_Programs_ipynb.zip)

  • Sep. 2017: Updated input() function compatibility between Python 2.xx and 3.xx to affected programs (Original versions can be found inv1.0 folder). To summarize, all codes (.py and .ipynb) should run under Python 2.7x and 3.xx as follows:

    • .py codes not using VPython: will run in Jupyter (viaload prog_name) and in a terminal

    • .py codes using classic VPython (visual installed): will run in Jupyter and in a terminal

    • .ipynb codes using Jupyter vpython: will run in Jupyter only

  • March 2018: Complete update of all .py programs to Jupyter notebook versions.

    • This includes all non-VPython programs and revisons to some Jupyter VPython program, so all programs can be run in dual mode: standard mode (python program.py) or in Jupyter notebook.

    • Programs usingmatplotlib now utilize thenotebook backend, enabling users to interactively manipulate plots such as zoom and save in nearly the same way as the standard .py versions run from a terminal. In addition, programs usingmatplotlib animation (Programs 8.1, 10.2, and 11.4) work correctly in Jupyter notebook.

  • Sep. 2018: Updated Program_12.2_qmscatt.py and Program_12.2_qmscatt.ipynb.

    • This update fixes the compatibility in spherical Bessel functions betweenSciPy versions 0.x.x and 1.x.x. In version 1.x.x, the name is changed fromsph_jn/yn tospherical_jn/yn, its signature is also different. With this fix, the program automatically detects theSciPy version and should work under either version.

  • March 2021: VPython advisory.

    • .py codes using classic VPython (visual) will generally not run in either Jupyter or in a terminal because of changes in latest vpython versions. While one could slightly modify the .py programs to run from a terminal, the easiest way is to run the corresponding .ipynb programs instead. If you have to run from a terminal, refer to the .ipynb counterpart on necessary modifications (mostly related to vectors and canvas) to make it work.

  • June 2022: UpdatedProgram_11.2_entropy.py so it works correctly when total energy and the number of cells are unequal.

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