SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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Ewalds speed up #76

Closed ahyork closed 6 years ago

ahyork commented 6 years ago

increased speed of ewalds sum by moving kvec.wt multiplication outside of framework atom loop in the _ϕ function.

SimonEnsemble commented 6 years ago

v nice trick for speed up!

coveralls commented 6 years ago

Pull Request Test Coverage Report for Build 186


Totals Coverage Status
Change from base Build 179: 0.0%
Covered Lines: 738
Relevant Lines: 845

💛 - Coveralls