Different PBC in new vs old crystal parser
The new crystal parsers assigns (true, true, true)
to many (or all) calcs' periodic boundary conditions, where the old parser was assigning (false, false, false)
. As a result many calcs become bulk or without system type that have been molecules on the old system.
You can compare the production (https://nomad-lab.eu/prod/rae/gui/search?visualization=system&dft.code_name=Crystal) with the reprocessing NOMAD installation (https://nomad-lab.eu/prod/rae/reprocess/gui/search?dft.code_name=Crystal&visualization=system)
An example calc where you see the different PBC: 6GPEE6tsj4sVMHkjuhboMyi5f_9u
@himanel1 could you investigate, it the new behaviour is indeed intended/correct?