Vincenzo Brancaccio's repositories
Boltzmann_Population_Excel_UDF
An Excel UDF (User defined function) for calculating the Boltzmann population of several energy levels at a given temperature. Supports energies in Hartrees, kJ/mol, kcal/mol, eV
CREST_scripts
Some scripts to be used with the CREST package by the Grimme group
Language:Shell000
jasco_jws_reader
This project aims to read jws files obtained from jasco spectrometers.
Language:PythonGPL-3.0000
pointgroup_calc.sh
A bash script to calculate the point group of a molecule. Based on jmol.
Language:Shell000
pyAroma
An aromaticity analyzer.
Language:PythonGPL-3.0000
rotate_xls_table
A script to rotate an excel workbook
Language:Python000
TensorViewforMatlab
A tool use to visualize tensors and molecules
Language:MATLAB000