5

Someone else might have a more relevant opinion than me, since I do not actively use the three software suites for which you propose introduction of new tags: ORCA, VASP, and Gaussian. I know that Psi4 is removed enough from Psi3, and ACESIII is removed enough from ACESII, almost as if these can be considered different software. We don't have any Psi or ...


4

My view on these is that [1] is probably an overly general use of the tag (can just include tags for the specific program(s), while [2] and [3] are different enough to warrant separate tag (perhaps software-recommendations or just software for [2] and software-development for [3]). I agree, [1] is overly general, [2] should be renamed software-...


2

If with ab-initio(-calculations) you refer to wavefunction-based methods, then it would probably be better to call the tag like that. Apparently in the physics community (Is density functional theory an ab initio method?) it is quite common to call DFT an ab-initio method, whereas other places it is a convention to mean wave-function based methods with ab-...


2

I felt the last few days were slow enough, so I edited the tags on these questions. There are currently no other questions with hessian. While nothing prevents this tag from being re-added, I have yet to see a question that would need this tag and I can't think of a hypothetical question where it would be better than a more specific tag about the topic of ...


2

I agree that it would be good to introduce these tags. As the SE matures, we will have higher-level questions and since this is the SE that deals with development of matter modeling codes, these version specific tags will come in handy. I have had to move between versions of some codes to get certain things done. However, I think that "instead of" these ...


1

One benefit of this would be reducing the need for broad, "field-specific" tags. Electronic-structure programs like gaussian, qchem, molpro, etc could all be classified under electronic-structure or quantum-chemistry. Molecular dynamics programs like lammps or gromacs could be grouped under molecular-dynamics. It would let questions have as ...


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