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jkitchin / jasp

python enhancements of ase.calculators.vasp
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Fixed atom ordering for special setups #22

Closed jboes closed 10 years ago

jboes commented 10 years ago

I can't figure out why git thinks all of my files are different than the ones on your branch.

Only jasp.py and metadata.py have any changes. From jasp.py I removed the get_special_setups function. This feature has been replaced with the storage of special features in the METADATA file. Both types of special setups are now preserved between runs. i.e. setups={'Cu': '_pv'} or setups={'0': 'Cu'}.

jkitchin commented 10 years ago

I have merged this into master.

The reason your files all look different than master is (Ithink) because the have 755 permissions and master has 644 permissions.