This repository contains my code for the Crawford group programming projects, found here:
CrawfordGroup/ProgrammingProjects
- 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
The code uses Eigen, the C++ template library for linear algebra. It must be compiled with a C++11 compiler and include the directory for Eigen.