SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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Speed improvements by keeping memory contiguous #69

Closed SimonEnsemble closed 5 years ago

SimonEnsemble commented 5 years ago

note Matter.jl has changed. nice work @ahyork

vdw_energy_timing.jl: 404 --> 76 \mu s ewald_timing.jl: 4.9 ms --> 3.605 ms

coveralls commented 5 years ago

Pull Request Test Coverage Report for Build 125


Changes Missing Coverage Covered Lines Changed/Added Lines %
src/GCMC.jl 13 17 76.47%
src/Crystal.jl 171 196 87.24%
<!-- Total: 301 330 91.21% -->
Files with Coverage Reduction New Missed Lines %
src/Molecules.jl 1 91.75%
src/ElectrostaticEnergetics.jl 2 97.83%
src/GCMC.jl 19 75.8%
<!-- Total: 22 -->
Totals Coverage Status
Change from base Build 84: 2.0%
Covered Lines: 732
Relevant Lines: 836

💛 - Coveralls