Pinned Repositories
EnergyLeveller
A python script to plot an energy level diagram from an input file.
ghost-atoms
gmClustering
Clustering and combinatorial optimization algorithms and internal validation criteria.
IM_EA
impact_factor
Impact Factor Toolkits
lcmodslib
Collection of script for local mode approach
lra-md
ledragna's Repositories
ledragna/EnergyLeveller
A python script to plot an energy level diagram from an input file.
ledragna/ghost-atoms
ledragna/gmClustering
Clustering and combinatorial optimization algorithms and internal validation criteria.
ledragna/IM_EA
ledragna/impact_factor
Impact Factor Toolkits
ledragna/lcmodslib
Collection of script for local mode approach
ledragna/lra-md
ledragna/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
ledragna/sh
Python process launching
ledragna/vim-gaussian
Vim syntax for Gaussian16
ledragna/vtkStreamMolecule-mwe