Ext md #6
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Ext md #6
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- add missed scopes, coordinate attribute - correct description of the triclinic simulation box - remove irrelevant simex and lammps references
CFGrote
approved these changes
Oct 29, 2019
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Implements issue: openPMD#212
openPMD#212
Description
A new extension for Molecular Dynamics simulation codes
Affected Components
EXT-MDWriter Changes
How does this change affect data writers?
What would a writer need to change?
observablesunder each iteration like this.Does this pull request change the interpretation of existing data writers?
Reader Changes
How does this change affect data readers?
What would a reader need to change? Link implementation examples!
observablesunder each iteration like this.Data Converter
How does this affect already existing files with previous versions of the standard?
Is this change possible to be expressed in a way, that an automated tool can update the file?
Link code/pull requests that implement the upgrade logic!