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NQCD
NQCDynamics.jl NQCD
5
57
mit
4
Fast and flexible nonadiabatic molecular dynamics in Julia!
monte-carlo nonadiabatic semi-classical quantum-classical molecular-dynamics physics-simulation
Created 2020-11-25
1,158 commits to main branch, last one 21 days ago
Quantum-Dynamics-Hub
libra-code Quantum-Dynamics-Hub
47
51
gpl-3.0
11
This repository has no description...
library quantum dynamics utilities nonadiabatic do-it-yourself atomic-orbitals object-oriented quantum-chemistry molecular-dynamics electronic-structure semiempirical-methods methodology-development
Created 2017-08-24
2,080 commits to master branch, last one 15 days ago