Data for our paper on Non-Negative Least Squares Reweighting and Pruning of Quadrature Grids for Tensor Hypercontraction.
Hillers-Bendtsen, Andreas Erbs; Lu, Lixin; Martinez, Todd;
Data for our paper on Non-Negative Least Squares Reweighting and Pruning of Quadrature Grids for Tensor Hypercontraction.
This ZIP folder contains all the data and scripts used to make all the figures in the main text and SI the paper. It also contains input files, output files. The folder is structured as follows: 'Figure_x' contains data and python scripts necessary to generate and plot the data. 'LibTHC' contains the python library used to run all non-TeraChem calculations.