chrisjsewell / PyGauss

An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
http://pygauss.readthedocs.org/
GNU General Public License v3.0
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some normals of isosurface incorrect #22

Open chrisjsewell opened 9 years ago

chrisjsewell commented 9 years ago

getting inverse for some areas

gabrielelanaro commented 9 years ago

I believe I fixed this but it's not released yet. It'd due to some wierdness with the marching cubes code. Do you have some test code I can see if I can fix it?

chrisjsewell commented 9 years ago

hey, hopefully you got my email about this, but for documentation sake; my code is in pygauss/isosurface.py in which I've swapped out your marching cubes with the scikit-image implementation (faster but still get the weirdness with having to switching x/y, which could be the route of the problem?)