storq

Contents

  • Overview
  • Installation
  • Running calculations
  • User interface
    • Main class
    • Charge density
    • Errors and exceptions
    • IO functions
    • Support functions
    • Job management
    • Tools
storq
gitlab/storq | materialsmodeling.org/software | index | modules

User interfaceΒΆ

  • Main class
  • Charge density
  • Errors and exceptions
    • Exceptions
  • IO functions
    • Readers
    • Writers
  • Support functions
    • Helper functions
    • POTCAR support functions
    • Getters
    • Setters
    • Validation functions
    • Structure relaxation
  • Job management
    • Resource manager
  • Tools
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