jmwoll/ORCAunleashed
ORCAunleashed provides a minimalistic python interface to the ORCA quantum chemistry package. Thus, ORCA jobs are easily automated via the python programming language.
PythonGPL-3.0
No issues in this repository yet.
ORCAunleashed provides a minimalistic python interface to the ORCA quantum chemistry package. Thus, ORCA jobs are easily automated via the python programming language.
PythonGPL-3.0
No issues in this repository yet.