https://github.com/barakhirshberg/pnas_data_pimd-b

Source code for PIMD for bosons within LAMMPS. Also includes data for https://doi.org/10.1073/pnas.1913365116 and https://arxiv.org/abs/1905.09053

https://github.com/barakhirshberg/pnas_data_pimd-b

Science Score: 13.0%

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Source code for PIMD for bosons within LAMMPS. Also includes data for https://doi.org/10.1073/pnas.1913365116 and https://arxiv.org/abs/1905.09053

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  • Host: GitHub
  • Owner: BarakHirshberg
  • Language: C++
  • Default Branch: master
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Created almost 7 years ago · Last pushed about 6 years ago

https://github.com/BarakHirshberg/PNAS_data_PIMD-B/blob/master/

# LAMMPS-PIMDB

Source code for PIMD for bosons within LAMMPS. (fix_pimdb.cpp and fix_pimdb.h).
Input files for all simulations at bhw=6. For other temperatures, simply change the Temp variable accordingly.
Raw data ('.dat' pickle files) for arXiv:1905.09053, published in https://doi.org/10.1073/pnas.1913365116, is also given with python scripts to generate figures.
I thank P. Mujal for the raw data from Physical Review A 96, 043614 (2017) (not given here).

Owner

  • Name: Barak Hirshberg
  • Login: BarakHirshberg
  • Kind: user
  • Company: Tel Aviv University

Assistant Professor of Chemistry @ Tel Aviv University

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