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Dear Mellissa,
First off, great package that really facilitates my analysis ! Thank you :)
I'm currently doing an analysis for which I need to estimate the back trajectories within a given region (i…
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To enable different trajectories (with controlled randomization), the user may want to branch simulations at a specific time.
Example
```kotlin
// current API
val sim : Environment = createSi…
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Hi,
So I've done a fresh install of pyMonteCarlo following the instructions on https://pymontecarlo.readthedocs.io/en/latest/installation.html as a Python Package.
This downloaded pymontecarlo-ca…
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Instead of implementing ES logic externally we prefer to use GROMACS to do this. This should reduce bugginess, instability and complexity.
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General improvements
- [ ] Add in some hand-crafted trajectories into the mix via https://arxiv.org/pdf/2401.09241 (i.e. drive to goal, stop, slow, fast, even other algorithms perhaps, etc with sampl…
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It would be good to extend the existing Morris analysis code so that multiple results vectors could be computed from one call, with results passed as a numpy array, rather than just a vector.
At pres…
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Hi,
Thanks for sharing the tool!
I have accounted the following error on "cannot import the xdatbus". I have pip install xdatbus with 3.12.0 python in the created environment and it is running i…
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**Submitting author:** @micahgale (Micah D. Gale)
**Repository:** https://github.com/idaholab/MontePy
**Branch with paper.md** (empty if default branch): joss_submit
**Version:** v0.2.7
**Editor:** @k…
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Maybe adding a flag, that a cv can be periodic might make it easier to analyze these later.
it could somehow replace the PeriodicVolume or parts of it.
It would also be useful for plotting trajectori…
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||link|
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|paper| [A survey of heterogeneous information network analysis](https://www.computer.org/csdl/journal/tg/5555/01/09382844/1saZr0JHX5C) |