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#### Summary:
For the code in for instance [`base_nuts::transition()`](https://github.com/stan-dev/stan/blob/develop/src/stan/mcmc/hmc/nuts/base_nuts.hpp#L79) there's a bunch of ps_point's that are…
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Dear Yang Zhong:
In an attempt to train a HamGNN model for silicon, I came across a training problem. According to the output information, the loss of the training is 0.139 from the start. The …
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## Description
I have noticed some odd behavior using `ode_adams` and `STAN_THREADS`. This does not recur when using `ode_bdf` or `ode_rk45`.
## Example
Using a simple SIR model, courtesy of …
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**Describe the bug**
In principle, the total energy and force should have translational invariance under the periodic boundtry condition. When I translate a periodic system (water on graphene), the t…
zyt0y updated
11 months ago
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### What is your issue?
Dear quimb team,
I am interested to compute the magnetization of 1D and 2D models by implementing dmrg method.
How can I do that? I searched throughout the quimb website b…
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# Problem
Hi @GTorlai,
I am trying to use your code with ITensors.jl to compute the groundstate of a 2D Heisenberg model and obtain random pauli measurements from it. The code works fine when st…
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#### Summary:
Please provide a short summary (no more than a sentence or two).
#### Description:
Describe the issue as clearly as possible.
#### Reproducible Steps:
Please report steps to…
ghost updated
2 years ago
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https://github.com/stan-dev/rstan/pull/887 is huge and I think the PR thread will eventually become impossible to follow. So I am opening this issue where you can post anything that is missing in the …
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## Description
Reported on the forums: https://discourse.mc-stan.org/t/using-the-wiener-lpdf-function-in-the-cmdstanr-package-to-implement-a-diffusion-model-the-construction-of-a-markov-chain-was-u…
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Hello!
I am a bit new to MD, so I might be asking for something extraordinarily simple or impossible. So far I have been doing all-atom simulations with openMM in a membrane protein. They look all …