Pinned Repositories
GaussianToolkit
A versatile toolkit to extract DFT calculation data from Gaussian output file. May support more softwares in the future
energyLevel
Gaussian_output_processing
Code to get optimized coordinates, masses, electronic energies etc. from gaussian. Also includes functions to calculate atomic distances, angles and dihedrals.
pdbMultiplier
Create pdb files for periodic structures, including crystals!
rxnlvl
A simple python package for drawing attractive chemical reaction energy level diagrams
xyc5
wangmenghao's Repositories
wangmenghao/GaussianToolkit
A versatile toolkit to extract DFT calculation data from Gaussian output file. May support more softwares in the future
wangmenghao/energyLevel
wangmenghao/xyc5
wangmenghao/Gaussian_output_processing
Code to get optimized coordinates, masses, electronic energies etc. from gaussian. Also includes functions to calculate atomic distances, angles and dihedrals.
wangmenghao/rxnlvl
A simple python package for drawing attractive chemical reaction energy level diagrams
wangmenghao/pdbMultiplier
Create pdb files for periodic structures, including crystals!