-
This is easy: just use the functionalities around to build the hybrid move
-
```
Add the code to do Hybrid MC simulation.
```
Original issue reported on code.google.com by `ywa...@gmail.com` on 28 Nov 2007 at 8:19
-
I'd like to submit a feature request for Hybrid Monte Carlo (HMC) simulations. At present, one can do mixed MD/MC using a combination of 'fix gcmc' and a time integration fix. However, there's no way …
-
**Submitting author:** @espottesmith (Evan Spotte-Smith)
**Repository:** https://github.com/BlauGroup/RNMC
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:** @mbarzeg…
-
Monte Carlo methods currently use an Euler style update for continuous
dynamics. Should add support for other ODE update methods to create a
variety of hybrid simulators.
-
I couldn't find anything about the technique used by GPy when optimising the length-scales in an RBF kernel with ARD=True.
I'm aware of Log-likelihood optimisation (methods such as conjugate gradie…
-
-
* [Link](https://arxiv.org/pdf/1708.03661.pdf)
* Title: Revisiting the Hybrid Quantum Monte Carlo Method for Hubbard and
Electron-Phonon Models.
* Keywords (optional):
* Authors (optional): …
-
The file `python/progressive_turnaround.py` contains an implementation of progressive sampling a proposal point during trajectory exploration, thus reducing the number of leapfrog steps necessary to e…
-
A possible way to efficiently translate or rotate a molecule is to bias the displacement using the actual force/torque acting on a molecule (see [this paper](http://scitation.aip.org/content/aip/journ…