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For periodic systems, one needs to get the gradlat from the control file. It would be better to change the default filename for the from_file method from "gradient" to "control". This is not likely to be an issue in terms of backward compatibility but it should be checked.
The text was updated successfully, but these errors were encountered:
For periodic systems, one needs to get the gradlat from the control file. It would be better to change the default filename for the from_file method from "gradient" to "control". This is not likely to be an issue in terms of backward compatibility but it should be checked.
The text was updated successfully, but these errors were encountered: