Jacob Wilkins
Jacob Wilkins
**Is your feature request related to a problem? Please describe.** Currently the only place to view molecules is if a task has a single molecule selector (Infrared/ReorientationalCorrelation). **Describe the solution...
**Description of the error** Atom cache could be implemented as a `@functools.cached_property`. However, it also creates duplicate cache entries for `np.str_("C")` and `"C"`. **Describe the expected result** No dups? Standard...
**Is your feature request related to a problem? Please describe.** There are lots of instances where dict pairs are written. Could add standard function to `IOUtils` to dump dicts nicely...
**Description of the error** Some functions such as the CCF which cannot be run without charges grey out the run button if they're not present, but do not display any...