Open Issues Need Help
View All on GitHub No graceful exit when tmp.chk is present 8 days ago
AI Summary: The program crashes with a TypeError when attempting to restart a calculation with a `tmp.chk` file present. The error occurs because the `init_guess_by_chkfile` function is called with an incorrect number of arguments. The expected behavior is either a successful restart or a graceful exit.
Complexity:
2/5
bug help wanted
Python module initialization and post processing of data for Green-Phys software suite.
Python
#computational-materials-science#greens-functions#quantum-chemistry
Minor typo in example script 9 months ago
bug help wanted
Python module initialization and post processing of data for Green-Phys software suite.
Python
#computational-materials-science#greens-functions#quantum-chemistry