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Atomic workflows of the basic operations sub-library
| Atomic workflows | Functionality |
|---|---|
| Opt WF | Geometry optimization |
| Basic Opt WF | Geometry optimization with small basis set |
| Freq WF | Frequency calculation |
| TD WF | Time-dependent DFT calculation |
| Pop WF | Population analysis |
| Solv WF | Optimization in solvent |
