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I'm interested in, after running a simulation, generating the energies at a number of new energy functions given the configurations I sampled. openmmtools handles running lots of new alchemical stat…
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Hi,
thank you for all your effort in this library.
We have many datasets for which we need to compute causal impact. Currently, it is too slow to compute it on CPU or GPU.
However, these datasets…
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This is more a question than an issue (sorry if this is the wrong place!). I've been using Shiny in R a lot. In the past I used the package {r2d3} to include D3.js visualizations in my Shiny apps.
…
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See https://discourse.julialang.org/t/quantumoptics-jl-time-dependent-hamiltonian-cannot-run/113448
When someone picks `master` instead of `master_dynamic`, the `MethodError` message is not particu…
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@jpotoff @msoroush
I just wanted to ask some questions about a few of your comments.
> On issue with HS-GCMC is that it is unclear how much efficiency is gained by actually sampling the differen…
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Hi,
I've emailed about this several times. In the manual, it says that the dispersions provided by Hermit = 0/false are wrong. Setting hermit = 0 is the only way I can generate results for my system.…
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### Feature details
Currently, [`qml.Tracker`](https://pennylane.readthedocs.io/en/stable/code/api/pennylane.Tracker.html) works really well for tracking quantities that are already being recorded by…
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# Abstract
There is a purely classical procedural generation algorithm called "[wave function collapse](https://github.com/mxgmn/WaveFunctionCollapse)". Despite the name, this is a classical algorith…
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The variational quantum eigensolver (VQE) is arguably the most common variational quantum algorithm. As every other quantum algorithm, it can be done easily with Classiq. The goal of this issue is to …
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I am trying to evaluate integrals over ECP potential operators. With a molecule object "mol", I can get a matrix of integrals with
=mol.intor("ECPscalar")
I was wondering, does this approach gi…