Release of Advance/NeuralMD Ver.1.9.2

The new version of Advance/NeuralMD, Ver.1.9.2, has been released. For more details, please visit

  • SLHMC: support for deformation in only 2D and 1D directions of cell shapes
  • SLHMC: enhanced error log output for Quantum ESPRESSO calculations
  • added setting for maximum standard deviation of energy and charge (maxEDiv, maxQDiv).
  • added feature to ignore characters following element names in training data.
  • fixed issue with recognition of element name Pm in training data.