Python Version
- Project 1: Molecular Geometry Analysis
- Project 2: Harmonic Vibrational Analysis
- Project 3: HF-SCF
- Project 4: MP2 Energy
- Project 5: CCSD Energy
- Project 6: CCSD(T) Energy
- Project 8: DIIS extrapolation for SCF(In Progress)
jattakumi/PyCrawford_Programming_Projects
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|