PyPI page
Home page
Author:
None
Summary:
Crystal Orbital Guided Iteration To atomic-Orbitals (COGITO) finds an adaptive atomic orbital basis for a given density functional theory (DFT) run, and then decodes the atom and bond contributions to electronic structure.
Latest version:
0.1.1
Required dependencies:
matplotlib
|
numpy
|
plotly
|
pymatgen
|
scipy
|
seekpath
Optional dependencies:
dash
|
dash-ag-grid
|
scikit-image
Downloads last day:
12
Downloads last week:
25
Downloads last month:
261