The CASINO forum

I have created a Python package, https://pypi.org/project/adf2stowf/ , which includes a version from the CASINO distribution with minimal modifications (only adjusted to ensure proper package installation). This version will serve as the reference implementation. Unfortunately, in this version, the ...

ChatGPT told me that instead of scipy.weave, I could use pybind11 and rewrote part of the code as an... I've spent much of my life so far happily telling computers what to do. I do hope it's not going to be the other way round in the future. I called it Cognilator (noun) - A device or system design...

ChatGPT told me that instead of scipy.weave, I could use pybind11 and rewrote part of the code as an example https://github.com/Konjkov/adf2stowf/blob/main/stowfn.cpp, also fixed the calculation for the hydrogen atom and added comments... I think it will also help with the virtual orbitals. Fashion ...

Hello CASINO developers, The adf2stowf.py utility included in the CASINO distribution is not working. This is due to the fact that the scipy.weave module is outdated and no longer supported in recent versions of SciPy, along with several other minor issues. I have created a project at https://github...

and the equation has a stationary point at which the optimization of ξi will converge and this is obvious flattened (corrected) trial function.

I can't understand what Ceperly wanted to say. So if I start with the unsymmetrical version of the pair product trial function. I get a slightly different formula. 1.png Substitute the value of the expressions into the discrete step of the generalized Feynman-Kac / DMC for the trial function with co...

ChatGPT-5 told me that this is a consequence of the type of function defined in eq 20 In article "Fermion Nodes" "Journal o f Statistical Physics, Vol. 63, Nos. 5/6, 1991", DOI :10.1007/BF01030009 Screenshot_20250826_184834.png a plane wave is a complex exponential, so the formul...

Hello QMC experts. In his article "Fermion Nodes" "Journal o f Statistical Physics, Vol. 63, Nos. 5/6, 1991", DOI :10.1007/BF01030009 D. M. Ceperley make a crude approximation of correcting the trial function by the local energy itself: ψ₂(R) = Aψ₁(R)exp(-𝜏E₁(R)) (eq. 19) This le...

Hello CASINO developers, ChatGPT shocked me by stating that CASINO is an acronym for "Cambridge Advanced Simulation of Interacting N-electrOns." However, I couldn't find any confirmation of this either in the documentation or on Wikipedia. Is this true, or is it a hallucination of the neur...

The Jastrow factor redistributes the electron density from where the probability of two electrons meeting is higher to where it is lower, so a term is needed that will redistribute it back. Such a term (chi-term) is usually included and depends on the distance of the electron to the nucleus, since s...