Inheritance diagram for qmworks.packages.orca.ORCA_Result:
Collaboration diagram for qmworks.packages.orca.ORCA_Result:
Public Member Functions | |
| def | __init__ (self, settings, molecule, job_name, plams_dir=None, status='done') |
| def | from_dict (cls, settings, molecule, job_name, archive, status) |
| def | molecule (self) |
Detailed Description
Class providing access to PLAMS OrcaJob results
Member Function Documentation
◆ molecule()
| def qmworks.packages.orca.ORCA_Result.molecule | ( | self | ) |
Retrieve the molecule from the output file
The documentation for this class was generated from the following file:
- /home/docs/checkouts/readthedocs.org/user_builds/pyfragdocument/checkouts/latest/qmworks/packages/orca.py
