Reaction Calculator Wiki

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Welcome to the Reaction Calculator wiki!

You will find in here all relevant information regarding the Reaction Calculator, including release notes, the manual, etc.

Release Notes

Version 0.3 - May 13, 2011

  • Ability to select a particular crystal structure for the reaction via structureid

Version 0.2 - Mar 31, 2011

  • Ability to select between three different energy adjustment strategies via a slider

Version 0.1 - Mar 6, 2011

  • Initial release

Manual