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2 datasets found

Federal

Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs

National Institute of Standards and Technology —

The parsers featured in this module are constructed to parse LAMMPS output files, (i.e., dump files), containing data for given potential energy values (an...
- This python program is hosted on GitHub
Federal

Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs

Department of Commerce —

The parsers featured in this module are constructed to parse LAMMPS output files, (i.e., dump files), containing data for given potential energy values (an...
- This python program is hosted on GitHub

2 datasets found

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