This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- water_cls.tar.gz: The archive includes a xyz file containing 20 snapshots of 32 water molecules generated at 300 K with path-integral molecular dynamics using only 1 bead, hence classical water. The time interval between the snapshots is 0.4 ps. The b parameter in the rVV10 functional is 8.9.
- water_nqe.tar.gz: The archive compiles a series of snapshots of 32 water molecules generated at 300 K with path-integral molecular dynamics. Each xyz file corresponds to one bead, hence 6 beads in total. The time interval between the snapshots is 0.4 ps. The b parameter in the rVV10 functional is 8.9.