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P
SI
4
Tutorial
¶
Psithon Tutorial: Using
P
SI
4
as an Executable
Basic Input File Structure
Sample Input Files
Running a Basic Hartree–Fock Calculation
Geometry Optimization and Vibrational Frequency Analysis
Analysis of Intermolecular Interactions
Potential Surface Scans and Counterpoise Correction Made Easy with Psithon
PsiAPI Tutorial: Using Psi4 as a Python Module
I. Basic Input Structure
II. Running a Basic Hartree-Fock Calculation
III. Geometry Optimization and Vibrational Frequency Analysis
IV. Analysis of Intermolecular Interactions
V. Potential Surface Scans and Counterpoise Correction Made Easy
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