Found 4 datasets matching "alchemical".
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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...
Search relevance: 135.29 | Views last month: 1 -
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...
Search relevance: 135.29 | Views last month: 0 -
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: 95.83 | Views last month: 0 -
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: 95.74 | Views last month: 0
