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**Summary**
Add library API for calling `addstep` on computes.
**Detailed Description**
Some computes like `stress/atom` require the virial to be computed in the current time step.
When ac…
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The level of support for the renesas_uno architecture is unclear.
* The `library.properties` does not currently declare support for the renesas_uno architecture.
* The [uno-r4-library-compatibilit…
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Add visonmate ingest pipeline programming for CLE Lab: Ingest Visionmate Files for Library Construction.
[Example Visionmate File Thermo Rack.csv](https://github.com/GTAC-MGI/GTAC-ESP-LIMS/files/1122…
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Thanks for building this amazing platform.
I’m attempting to build a chromatogram library using gas-phase fractionation (GPF). I ran six DIA staggered GPFs covering the 400-1000 m/z range on the Th…
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Hello! I'm currently working on extracting chromatogram data from mzDB files using Python and have been looking through your repository for help. Could you suggest a method for accessing the full chro…
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I have encountered several entries in the CHO thermo library, which have incorrect heats of formation. Unfortunately, I didn't think of cataloging all the incorrect species as I encountered them so I …
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If training reactions are written in reverse, we use thermo to fit the kinetics in the forward direction. If the thermo is poor, the rate we train the kinetics tree with will be poor as well.
For …
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Hello
We plan to use DiaNN to develop a pipeline for processing several hundreds of Thermo RAW files in a regular manner. For this, we think that it's a good practice to use our linux HPC. However,…
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The thermo of CO estimated from group additivity was found to be far off from any library values.
CHEMKIN format NASA Polynomial:
! Thermo group additivity estimation: **group(Ct-CtCs) + other(R)…
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This is the open source Modelica library which contains;
- basic fluid system components such as pump, pressure relieve valve, generic flow restriction component, etc
- sensors displaying value and …