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prisms-center / CASMcode

First-principles statistical mechanical software for the study of multi-component crystalline solids
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import from 0.3 to 1.2.0 not importing properties, only structure.json #218

Open jli5373 opened 3 years ago

jli5373 commented 3 years ago

Trying to run 'casm import -s import_settings.json -b vasp_properties.txt' in v1.2.0 for data from v0.3 is not working. It only generates a structure.json but doesn't copy the properties.calc.json/relax.json so casm-calc --report thinks there's no completed DFT calculation.

for reference: import_settings.json only has the "data" field filled in. tried toggling all of these options true and false to no change { "data":{ "import_properties":true, "copy_additional_files":true, "copy_structure_files":true, "overwrite":true } }

the vasp_properties.txt file has each line looking like /full/path/to/0.3_CASM_project/training_data/SCEL6_3_2_1_0_1_2/4/calctype.default/properties.calc.json

I'd previously imported a different project from 0.3 -> 1.1.2 with slightly different import_settings.json but it looks like the json formatting changed with 1.2.0. { "data":{ "import":true, "additional_files":true } }

Dongsheng-Wen commented 1 year ago

Hello, I would like to follow up on this thread as I found the config_list.json is not readable between old and new versions of casm. It would be extremely helpful to have some idea of how to import data from old-version projects.

Best, Dongsheng