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Hi! I am a postdoc at Los Alamos National Lab. I am currently working on efficient algorithms for Quantum MD.
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Los Alamos National Lab
- Santa Fe, NM
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pylammps_langevin_integrators
pylammps_langevin_integrators PublicPython implementation of the BBK, BAOAB, and G-JF Langevin integrators for LAMMPS.
Python
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