Hello,
There is some confusion on how different COSMO models in NWChem handle surface segmentation (see the linked
discussion). I want to visualize the sigma surface to look at this segmentation for my jobs, but I don't have the element vertices to do that. As far as I understand, surface segmentation follows some Delaunay-type meshing algorithm (generates figures like
these). So to visualize a mesh like that I would need files or arrays of the following format (using a tetrahedron as an example):
all_vertices.csv
```
1, 1, 1
1, -1, -1
-1, 1, -1
-1, -1, 1
``` (columns are x, y and z coordinates of all surface element vertices)
element_vertices.csv
```
1, 2, 3
4, 2, 1
1, 3, 4
4, 3, 2``` (columns are not ordered, but each row represents a surface element or face. The integers are the indices of the vertices that form that surface element)
Is there a way I can extract this information from the current version of NWChem (7.2.3)? If not, could I request that generating these files is added as an option in the next version?
Best,