Undocumented calculators (web page)
Probably every calculator should at least have a web page with a small "hello world"-style example of how to use it. Otherwise users won't know basic things like how the name of the calculator is capitalized, even if its use is otherwise straightforward.
The following calculators link to external pages instead of ASE documentation, and should probably have a documentation page:
-
deMon -
elk -
gromacs -
hotbit -
onetep -
gaussian (see also #154 (closed)) -
Mopac
There are a few other calculators that link to external pages, such as ASE, GPAW and jdftx, but those provide their own ASE-related documentation.
Edited by Ask Hjorth Larsen