Troubleshooting Guide#
Troubleshooting Guide#
Common problems and solutions for pychum.
Installation#
Problem: “ModuleNotFoundError: No module named ‘pychum’”#
**Solution:**
pip install pychum
Input Generation#
Problem: “Template not found”#
**Cause:** Jinja2 template missing.
**Solution:**
# Reinstall pychum
pip install --force-reinstall pychum
Problem: “Invalid TOML configuration”#
**Cause:** TOML syntax error.
**Solution:**
# Validate TOML
python -c "import tomllib; tomllib.load(open('input.toml', 'rb'))"
ORCA Input#
Problem: “ORCA input file not generated”#
**Cause:** Missing required fields in TOML.
**Solution:** Check TOML has required fields:
[orca]
method = "B3LYP"
basis = "def2-SVP"