Numerical integration of overlap electron densities: Parallelization strategies for a good load balancing using OpenMP

Here we present a comprehensive assessment of how different OpenMP directives influence the computation speedup for the creation of the overlap electron density using linear combinations of atomic Gaussian-type orbitals. Also, we present the computational performance of a simple algorithm for numerical integration, based on the division of integration space in subspaces (with adaptive sizes considering its integral values - ASII). This algorithm...