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SSCHAcode / python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
GNU General Public License v3.0
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Easy fix modes #29

Closed mesonepigreco closed 3 years ago

mesonepigreco commented 4 years ago

The constrains on modes made easier.

mesonepigreco commented 4 years ago

Note: before merging it is required to add test explicitly on the new functionalities. These are: merging of ensembles, splitting of ensembles, generation of ensembles. Also the computation of the ensembles. This could be done with the force field in the test suite.

mesonepigreco commented 3 years ago

I think it is time to commit the merge on the EasyFixMode, as the tutorial refers to this branch, so it is good to have it committed into the master