Features missing from version 0.2.0 #21
Description
Certain features will be deliberately missing from the initial release of v0.2. The feature set had to be restricted due to a release being needed in early October. Note that a complete functionality set is available at a higher abstraction level through scripts.
This issue will document the missing features, open a place for prioritization requests and track the work on them for later patch releases.
The following is a summary of the items to be implemented in the order of current priority:
- Flexibility
- Adjusted rational charges
- AIMAll format parser
- Dipole and quadrupole calculation
- Field filtering
- Distance transform
- Graphs