Ankita Biswas

icon company University of Virginia icon location Charlottesville, Virginia icon location Computational Materials Science Researcher, Musician, Painter.

Results 4 issues of Ankita Biswas

Multivariate Active regression

Can a multivariate Active regression be performed with this package? If so, could anyone provide an example?

Qhull algorithm used to create the VoronoiNN class does not take care of the periodic boundary conditions.

1 comment

Hi I had been trying to use the VoronoiNN class to find nearest neighbors w.r.t a particular site within the structures I am studying. However, I found from literature, that...

'diff' parameter not working in StructureGraph.draw_graph_to_file

3 comment

**Describe the bug** 'diff' parameter not working in 'draw_graph_to_file' from StructureGraph class of the pymatgen.analysis.graphs module **To Reproduce** Steps to reproduce the behavior: 1. Generated structure using *.cif file 2....

Qhull does not take care of periodic boundary conditions.

Hi, I am using the delaunayn function in this package, and since I am working on structure graphs of crystals its important that the delaunay traingulation be performed on my...