Month: May 2020

Car-Parrinello

Car-Parrinello Quantum Molecular Dynamics

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Introduction I have another repository on GitHub. I decided to have one where I’ll put python code for computational physics issues that are simpler / less complete than the code for the C++ projects. I’ll put there both jupyter notebooks and python scripts. At this moment there are only two of them, hopefully I’ll add … Read more

Boron with STO6G

Variational Quantum Monte Carlo

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Introduction   I’ll try to describe here briefly another project I have on GitHub1. There will not be much except links, but hopefully those will be useful. The project is far from being perfect, the simple averaging used there for example could be improved, as there are autocorrelations that one should be aware of, but … Read more