average area of the cavity finite elements - Githubissues

PCMSolver / pcmsolver

An API for the Polarizable Continuum Model

http://pcmsolver.readthedocs.io/

GNU Lesser General Public License v3.0

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average area of the cavity finite elements #179

Open josephatsalzburg opened 4 years ago

josephatsalzburg commented 4 years ago

i always encounter this problem, Consider changing the average area of the cavity finite elements, when testing the new PCM capabilities in a basic SCF on any molecules. I tried to increase the the average area for the cavity tesselation to no avail.

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