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Hello,
I'm working on generating a GAMESS output file using the Avogadro input generator. I am looking to find area, charge, and charge density (similar to that found here https://github.com/usnistgo…
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### Description
Calling the SETFLUIDSdll and SETREFdll throw errors that are undocumented in the [REFPROP DLL documentation](https://www.nist.gov/system/files/documents/2018/05/23/refprop10a.pdf) f…
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Thank you so much for including NSW!
There are now more fuel types than only diesel and P95.
Fuel Type Code
Ethanol 94 E94
Ethanol 105 E105
Unleaded 91 U91
Premium 95 P…
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Hi together,
I have noticed that application of both ALPB and GBSA solvation models resulted in different energies for the newest versions of tblite (the installed executable after building with me…
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### Client Version:
515.1641
### Issue Summary:
Fraxinella plants are supposed to ferment into ash, but doing that doesn't change the reagents at all like it should.
Similarly, adding the 'exoth…
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**Issue**
In the mece_costs queries for 4_energ_carriers, most queries have a structure similar to coal and coal products:
```ruby
- query =
SUM(
PRODUCT(V(CARRIER(coal), cost_per_mj)…
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- [ ] Missing items in Trade stats:
+ 2659 Alcohol, Non-Food is not reported in the bilateral trade data set. This is equal to 0.5% of global biomass trade and even more when converted into raw m…
nk027 updated
4 years ago
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Dear developers,
I am recently doing MD simulation of small drug-like molecule in different organic solvents (e.g. methanol ethanol). I was using GAFF and SMIRNOFF in openmmforcefield to generate …
ghost updated
3 years ago
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a) Hello, in the ```cellulosic model```, the temperature and pressure of ```low-pressure steam``` seems to be higher than the temperature and pressure of ```medium-pressure steam and high-pressure ste…
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Dear CO2MPAS users,
## Regarding Bi fuel vehicles
We propose that the dice is run only once in the case of an interpolation family consisting of
- bi-fuel, or
- flex-fuel vehicles (even thoug…