:mod:`hipart.gint` --- (Towards a) Gaussian integrals library ============================================================= Gint is a part of HiPart used to evaluate functions and integrals of Gaussian functions. Gint is for the moment very limited in functionality and just does what is needed to make HiPart work. Gint is also an experiment to see if it is possible to let a computer program write efficient implementations of the Gaussian integrals. (These routines are not so funny to write by hand after all.) All C code is written by `writer` scripts that use `SymPy `_ as the computer algebra layer. Although there are still opportunities to further optmize the generated code, the current result is already very useful. :mod:`hipart.gint.basis` --- Basis set representation ----------------------------------------------------- .. automodule:: hipart.gint.basis :members: One-center routines ------------------- TODO Two-center routines ------------------- TODO Auxiliary function ------------------ TODO Tools ----- TODO Writer ------ TODO