schrodinger.application.matsci.gsas package

# Third-party code. No Schrodinger Copyright. GSAS functionality

Submodules

• schrodinger.application.matsci.gsas.ElementTable module
  • ElementTable: Periodic Table Data
• schrodinger.application.matsci.gsas.GSASIIElem module
  • GSASIIElem: functions for element types
• schrodinger.application.matsci.gsas.GSASIIfiles module
  • GSASIIfiles: data (non-GUI) I/O routines
• schrodinger.application.matsci.gsas.GSASIIlattice module
  • GSASIIlattice: Unit cells
• schrodinger.application.matsci.gsas.GSASIImath module
  • GSASIImath: computation module
• schrodinger.application.matsci.gsas.GSASIIpwd module
  • GSASII powder calculation module
• schrodinger.application.matsci.gsas.GSASIIspc module
  • GSASIIspc: Space group module
• schrodinger.application.matsci.gsas.atmdata module
  • atmdata: Table of atomic data