Naming
Closed this issue · 4 comments
junghans commented
These scripts only interact with xtp and not the other modules so far, so PyVOTCA might be a bit of a too generic name.
baumeier commented
Do you anticipate that anyone might be interested in interaction with other modules? Then we could keep it generic for future purposes. Otherwise we make this PyXTP or something.
junghans commented
It's on the list for a decade (see https://github.com/votca/csg/issues/43) ;-)
PyXTP seem a bit too specific as well.
Maybe having a PyVOTCA.xtp subclass? Which would leave some space to add PyVOTCA.tools and PyVOTCA.csg later.
baumeier commented
Well, the wrapper.py is actually providing a class called XTP and I am
using it as
From PyVOTCA import xtp
We can rename wrapper.py to xtp.py for clarity.
…On Wed, 27 Jan 2021 at 18:01, Christoph Junghans ***@***.***> wrote:
It's on the list for a decade (see votca/csg#43
<https://github.com/votca/csg/issues/43>) ;-)
PyXTP seem a bit too specific as well.
Maybe having a PyVOTCA.xtp subclass? Which would leave some space to add
PyVOTCA.tools and PyVOTCA.csg later.
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