org.molssi.seamm.tk
| Project | Entry Point |
|---|---|
| cassandra-step | Cassandra |
| control-parameters-step | Parameters |
| crystal-builder-step | Crystal Builder |
| custom-step | Python |
| dftbplus-step | DFTB+ |
| diffusivity-step | Diffusivity |
| energy-scan-step | Energy Scan |
| fhi-aims-step | FHI-aims |
| forcefield-step | Forcefield |
| from-smiles-step | FromSMILESStep |
| gaussian-step | Gaussian |
| geometry-analysis-step | Geometry Analysis |
| lammps-step | LAMMPS |
| loop-step | Loop |
| mopac-step | Lewis Structure |
| mopac-step | MOPAC |
| packmol-step | Packmol |
| properties-step | DB Properties |
| psi4-step | Psi4 |
| pyxtal-step | PyXtal |
| qcarchive-step | QCArchive |
| quickmin-step | QuickMin |
| rdkit-step | RDKit |
| read-structure-step | Read Structure |
| read-structure-step | Write Structure |
| seamm | Join |
| seamm | Split |
| set-cell-step | Set Cell |
| solvate-step | Solvate |
| strain-step | Strain |
| structure-step | Structure |
| subflowchart-step | Subflowchart |
| supercell-step | Supercell |
| table-step | Table |
| thermal-conductivity-step | Thermal Conductivity |
| torchani-step | TorchANI |
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