Logo
latest

Links

  • Go back to ioChem-BD central

User guide

  • Create module walktrough
  • Uploading content into Create
  • Publish a dataset into Browse
  • Generating reports
  • Video tutorials

Installation guide

  • System requirements
  • Steps prior installation
  • Installation procedure
  • Creating users and groups
  • Publishing endpoints definition
  • Post-installation steps
  • Advanced system configuration

FAQ

  • General usage
  • Administration
  • Errors

Data conversion

  • How to use this help?
  • Feature matrix
  • From chemical codes to CML
    • ADF
    • AMS
    • Amber
    • CASTEP
    • Gaussian
    • GROMACS
    • GronOR
      • environment
      • initialization
      • geometry
      • calculation
      • finalization
    • LAMMPS
    • MOLCAS
    • MOPAC
    • Orca
    • QuantumEspresso
    • Turbomole
    • VASP
  • From CML to HTML5 report
  • Conversion test dataset
ioChem-BD
  • Docs »
  • From chemical codes to CML »
  • GronOR
  • Edit on GitHub

GronORΒΆ

  • environment
  • initialization
  • geometry
  • calculation
  • finalization
Next Previous

© Copyright 2023, ioChem-BD software Revision 3be14859.

Built with Sphinx using a theme provided by Read the Docs.
Read the Docs v: latest
Versions
latest
stable
Downloads
html
epub
On Read the Docs
Project Home
Builds

Free document hosting provided by Read the Docs.