The following acronyms are often used in the source code (and the documentation).
These acronyms will often occur in lower case due to coding conventions. When a class represents just one of these terms, longer names may be used for the sake of clarity. Unit conversion constants are not abbreviated.
- AP1roG -- Antisymmetric Product of 1-reference orbital Geminal
- DM -- Density Matrix
- DFT -- Density Functional Theory
- ER -- Electron repulsion
- GDB -- Gaussian Density Basis
- GOB -- Gaussian Orbital Basis
- GPT -- Gaussian Product Theorem
- HF -- Hartree Fock
- KIN -- Kinetic Energy
- LF -- Linear Algebra Factory, i.e. class that bundles a set of related linear algebra routines.
- MP2 -- 2-nd order Moller-Plesset perturbation theory
- NA -- Nuclear Attraction
- OLP -- Overlap
- SQ (as suffix, e.g.
dist_sq) -- Squared - WFN -- Wave Function