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Hi
I am currently using CoolProp within MATLAB to test a mixture of refrigerants and have come across this problem when the programme tries to run the thermodynamic properties at state 2s of a vapo…
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When running `perses` on a protein-ligand system we've noticed that the `hybrid factory` of edges is huge:
```
166M P0240-His41(0)-Cys145(0)-His163(0)-3-5/out-hybrid_factory.npy.npz
```
Instead of…
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Often times we will want to update proposed move criteria during a run (e.g., increase/decrease the maximum displacement of a particle) to achieve a target acceptance probability. In PR #21 this is im…
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Commenting http://pythonhosted.org//pytram
- Installation guide: make more verbose, start with nonexpert option (pypi) as preferred option. Git install for experts at the end
- API http://pythonhosted…
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Do you want to ask a question? Are you looking for technical support? For any kind of question regarding CoolProp and its usage, you can ask the [CoolProp user group](https://goo.gl/Pa7FBT)
If you …
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We should look into why calculations spend so much time writing sampler states, and why this time increases with iteration number.
Some thoughts:
* We very likely should not be calling `sync()` ev…
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**Abstract**
`PureFluid` objects are an outlier within Cantera, as they combine liquid and vapor phases into a single substance that at the same time acts as a thermo *phase* (which is a misnomer i…
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You should take the fraction_contacts_expectation function in secondary_structure.py as the example. Instead of passing in a native contact list and a distance cutoff, you pass in a general function …
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* [Link](https://arxiv.org/pdf/1903.06173.pdf)
* Title: Dynamical scar states in driven fracton systems
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### Description
The following PropsSI calls, which aim at getting the temperature of Toluene from its specified enthalpy and entropy, failed for the case of using REFPROP as the backend but can suc…