ekadashipradhan's repositories
Molpro_Matlab_MCTDH_interface
Starting from scratch, how to construct a high quality potential energy surface (PES).
Language:Jupyter NotebookGPL-3.0000
Language:PythonGPL-3.0000
Project_Libra-QE
Figures, data files, and scripts for generating figures related to Delta-SCF-NA-MD manuscript will be deposited here.
Useful_Scripts
Various Gnuplot scripts for plotting as well as fitting data.
Language:Jupyter Notebook000