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I noted that a similar question has been asked by others before, but there is no good answer found yet:
I have been doing a comparison on the performances and resource demands of CCSD various softw…
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Sorry if this is not the right place, but I did try to find a forum...
I'm running biber on my bib file and I have a few warnings like this:
WARN - BAD RECURSION! Entry alias 'citekey...' is ident…
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I am trying to run the Lorrain test case with hyFoam solver including chemistry and combustion.
I used the profiles for u, p and T from the fuel off configuration as the flow conditions for the inle…
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We would like to modify the budget_ops.py code so that it prints 3 separate files, Full, PBL, Trop, with Dev, Rev, Dev-Rev, and % diff. This will make the operations budget more similar to the global…
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It appears that the change in the electrostatic potential energy for Reaction Field (`CutoffPeriodic`) is vastly different depending on the cutoff length for the same set of configurations.
I know t…
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When two lines have the same "title" AND "year" AND "authors" keep only one (the first? the most complete?)
Below the three key in ISI and SCOPUS:
- title --> ISI = TI / Scopus = Title
- year -->…
tommv updated
3 years ago
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I apologize for opening an issue for this, but I'm really stuck and I can't get ahead..
I can insert bibliography links with org-ref-insert -link, but when hitting 'return' with the point on a link …
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Hi,
I am a new Gromacs user and came across your package which has the potential to be very useful to me. Unfortunately, I have had problems using MDPOW. I'm pretty sure Gromacs is installed proper…
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### Descrição do problema
A conversão está gerando table-wrap incompleta no entanto existem os dados para completá-la.
### Passos para reproduzir o problema
1. Execute `ds_migracao convert --file…
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Please remove the "virtual screening" from your project. Virtual screening is a computational chemistry term used specifically to refer to screening large number of chemical compounds against a (typic…