This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- MC-MP2.tar.gz: Contains the MP2 results for the NpT-MC simulation of bulk liquid water (p=1bar ; T=295K). The file with extension .xyz .cell and .ener contain the coordinates (xyz format), cell parameters and energies information obtained from the simulation. Note that the information of a given frame is reported in the file only if the MC move is accepted. The MC simulation has been performed by employing presampling of moves, the .ener file reports both the MP2 (exact) and approximated potential (approx, used for the presampling) energies for each accepted move.
- MC-RPA.tar.gz: Contains the RPA results for the NpT-MC simulation of bulk liquid water (p=1bar ; T=295K). The file with extension .xyz .cell and .ener contain the coordinates (xyz format), cell parameters and energies information obtained from the simulation. Note that the information of a given frame is reported in the file only if the MC move is accepted. The MC simulation has been performed by employing presampling of moves, the ener file reports both the RPA (exact) and approximated potential (approx, used for the presampling) energies for each accepted move.