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Quantum-Dynamics-Hub
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Libra-X
https://quantum-dynamics-hub.github.io/Libra-X
GNU General Public License v3.0
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Fractional occupation scheme scheme included in the fermi_pop module.
#6
Pulokesh
closed
6 years ago
0
Updated submission script, solve_eigen module, and trajectory initialization with excited state gradients for Libra-QE
#5
Pulokesh
closed
6 years ago
0
NA-MD in the case where electronic back reaction is not included can be executed with low computational cost.
#4
kosukesato
closed
6 years ago
0
README.md and md.py are updated.
#3
kosukesato
closed
7 years ago
0
Energies are evaluated at the same timestep "t+dt" in md.py.
#2
kosukesato
closed
7 years ago
0
Energies are not obtained at the same timestep.
#1
kosukesato
closed
7 years ago
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