Comments (2)
arm61
commented on June 28, 2024
Hey! Thanks for the interest in pylj.
These are not broken, the idea is that you put in code yourself (so that the examples are interactive). Note, that above cell 2 of intro_to_molecular_dynamics.ipynb there is the following text:
In the cell below, write a function to calculate the energy of an interaction between two argon atoms for given range of distances using the Lennard-Jones function as the model.
Indicating that you should add your own code.
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Mi-chael
commented on June 28, 2024
Ui, reading helps. Thanks!
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Related Issues (20)
- Minor efficiency improvement HOT 1
- Example notebooks HOT 1
- Widget to control variables
- msd not accurate
- Scaling of the particles
- Add buckingham forcefield HOT 3
- Add square-well potential HOT 2
- Add sigma epsilon LJ potential HOT 1
- Update documentation to explain how best to write custom forcefields
- implementation of constants is not well thought out HOT 3
- include .cff citation file HOT 1
- Improve test coverage
- forcefield.py tests are lazy HOT 2
- Mention black formatting in CONTRIBUTING.md HOT 2
- Buckingham energy/force don't work for arrays HOT 4
- Move completely to numba jit
- Examples are broken
- Add template/information for running notebook on mybinder HOT 1
- Animations not working? HOT 4
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