Found 6 datasets matching "lennard-jones".
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This data includes a four alchemical processes with data files generated with the python package: generate_alchemical_lammps (DOI from MIDAS) and the resulting output to be used for the...
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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 approximation of the Hamiltonian),...
Search relevance: 52.22 | Views last month: 0 -
The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various simulation techniques. The data...
Search relevance: 47.56 | Views last month: 0 -
SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected...
Search relevance: 38.60 | Views last month: 1 -
REFPROP is an acronym for REFerence fluid PROPerties. This program, developed by the National Institute of Standards and Technology (NIST), calculates the thermodynamic and transport properties of...
Search relevance: 16.08 | Views last month: 0 -
**NOTICE: THIS VERSION OF REFPROP (9.1) has been superseded by Version 10: https://doi.org/10.18434/T4/1502528 ** NIST Standard Reference Data 23 contains revised data in a Windows version of the...
Search relevance: 15.77 | Views last month: 0