More analysis functions

Luthaf / Jumos.jl

Julia toolbox for molecular simulations

http://jumos.readthedocs.org/en/latest/

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Open Luthaf opened 9 years ago

Luthaf commented 9 years ago

This is a meta issue about analysis capacities. Here is a Santa Claus list:

[ ] Hydrogen Bond analysis
[ ] Calculating root mean square quantities
[ ] Correlation functions, and some dynamical properties:
- [ ] Diffusion coefficient
- [ ] Viscosity
- [ ] Vibrational spectra