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?
  • From chemical codes to CML
    • ADF
    • Amber
    • Gaussian
    • GROMACS
    • GronOR
    • MOLCAS
    • MOPAC
      • input.file
      • optimization
      • geometry
      • energies
      • total.time
      • input.data
      • vibrations
      • header
    • Orca
    • QuantumEspresso
    • Turbomole
    • VASP
  • From CML to HTML5 report
  • Conversion test dataset
ioChem-BD
  • Docs »
  • From chemical codes to CML »
  • MOPAC
  • Edit on GitHub

MOPACΒΆ

  • input.file
  • optimization
    • geometry
    • energies
    • jobcpu
  • geometry
  • energies
  • total.time
  • input.data
  • vibrations
  • header
Next Previous

© Copyright 2022, ioChem-BD software Revision 2b7852aa.

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.