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A couple of folks are implementing dipole moments in CoolProp (https://github.com/CoolProp/CoolProp/pull/1701 ), and a number of discrepancies have been identified. The clearest one is the alkanes, t…
ibell updated
5 years ago
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It looks like the way we're [currently](https://github.com/mosdef-hub/mbuild/blob/0d4a5827f23c049f47b67538c48f8ff9f322c406/mbuild/packing.py#L397) calling packmol involves opening files that are not c…
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I am getting the following error when trying to create an abstractstate with coolprop + refprop on python:
```
>>> import CoolProp.CoolProp as CP
>>> CP.AbstractState('REFPROP', 'METHANEÐANE')…
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Example: Shows 5 Refprop Categories for Functions.
Example: Shows Description fo…
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This is a list of the simulations we need to run
Put a * next to high priority tasks
Put your initials next to a task that you are currently working on
# Saturation viscosity
# New list of c…
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I'm trying to reorder two differently sized molecules so that they share as much of the atom numbering in common. I seen you've got this feature for molecules of the same size which is brilliant, but …
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Email from @mostafa-razavi :
When I run GreenKubo_analyze.py I get this error:
mostafa@mostafa:~/Git/IFPSC_10/C4H10/Gromacs/Mie_16_Bayesian_Viscosity_200_MCMC$ python ~/Git/IFPSC_10/Scripts/Gree…
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1. Such as putting in a custom Ribbon (example attached – RefProp)
a. Positioned just after the developer tab in this case.
![two](https://user-images.githubusercontent.com/31464824/29859010-c163…
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We are simulating the normal and branched alkanes to determine the adequacy of the united-atom Mie lambda-6 potential to predict viscosity. Although the ultimate goal is to predict high pressure visco…
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Editors recently agreed agreed a strategy for axiomatising catalytic activities in GO by pulling information from Rhea.
Details of discussion can be found here:
http://wiki.geneontology.org/index…