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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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Merge on a noncomputed ensemble #147

Closed gjoalland13 closed 10 months ago

gjoalland13 commented 1 year ago

Merging an ensemble with computed properties into an ensemble with non computed properties result in loosing all the forces and energies in the computed ensemble.

At least a warning should be printed

mesonepigreco commented 10 months ago

Hi @gjoalland13 , sorry for my delay. This is fixed in the latest version. I tried and it works as expected.