SENPAI-Molecular-Dynamics / SENPAI

Molecular dynamics simulation software
https://senpaimd.org
GNU General Public License v3.0
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Tetrahedral numerical differentiation #24

Closed munvoseli closed 3 years ago

munvoseli commented 3 years ago

In 3d graphics, gradients are often calculated by sampling the 4 points in a tetrahedron around the desired point instead of 6 points in an octahedron around the desired point. This commit adds tetrahedral numerical differentiation as an option.