deober
deober
For example: instead of importing vasp calculation data into casm_root/training_data/SCEL1_1_1_1_0_0_0/0/calctype.default/, the import writes to casm_root/training_data/SCEL1_1_1_1_0_0_0/0/calctype.default/calctype.default/ (this applies to all imported configurations)
Running monte carlo using the example LTE settings from "casm format --monte" gives the error: ensemble: GrandCanonical method: LTE1 ERROR calculating single spin flip LTE grand canonical potential. ERROR in...
Found during an import of casm_0.3 data to casm_1.X. Using "casm import --batch batchfile.txt" fails to import any energy data from the old casm project. Using an import settings file...