Assign temperature/velocity to electron density - Githubissues

ferchault / APDFT

APDFT calculates quantumchemical results for many molecules at once.

https://ferchault.github.io/APDFT/

GNU General Public License v3.0

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Assign temperature/velocity to electron density #232

Open michasahre opened 4 years ago

michasahre commented 4 years ago

Smargiassi et. al. use backstep propagation?
Kanhere sets it initially to zero
Car and Parrinello as well set to zero?