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hello everyone, as discussed in a previous e-mail, I add a table containing some package that are not covered in this CRAN Task View.
I downloaded all packages Descriptions from CRAN and searched f…
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The ms makes several references to "dialect" in the linguistic sense and this is of course the code name for the language. But the goal is not to make yet another dialect. The goal is to for the first…
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## Summary
I’m running a fairly simple robust optimization problem, to which I know there exists a feasible solution. The separation problem seems to find an optimal solution many times, but for so…
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Hello Team Reaktoro,
I already mentionned this bug to Allan in the gitter discussion but I wanted to do a proper bug report.
I will copy-paste my current working setup because it might be releva…
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Are we ready to start submitting calculations? We have three molecule collections ready (solvated amino acids, dipeptides, and DES370K). We have agreement on the level of theory to use and what quan…
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I think it would be nice to group the species in the standard ChemicalState output by element, and then sort them by abundance (similar to PHREEQC output) - this would make it a lot easier to quickly …
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**Submitting author:** @jranalli (Joseph Ranalli)
**Repository:** https://github.com/chmarti1/PYroMat
**Branch with paper.md** (empty if default branch): joss2022
**Version:** 2.2.4
**Editor:** @jgost…
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Hi everyone -
I thought I'd kick off a post where everyone can reply with an introduction to themselves so we can get to know each other.
**Tell us what brought you to this course and any othe…
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The standard printed output of a ChemicalState object is quite useful to quickly check the state of a system, but it would be great if this output would be automatically formatted if printed in a Jupy…
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Dear All,
I have one question about the CVode solver. In my current code, I have used Cvode(cvode_mem, tout, y0, &t, CV_NORMAL) to solve my ODE function, f, but it seems like the solver has been tr…