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License: GNU General Public License v3.0
Hello.
I would like to ask how a model that has been trained with SevenNet can be tested/evaluated with the new data that was not used for the training. I specifically want to generate test_result file to see the correlation between the original values and predicted values.
Also, I uncommented the continue option in input_full.yaml file and set the checkpoint:True to continue from the checkpoint_best.pth file but I encountered an error in the log file stating"unexpected input continue given". How can i solve this issue?
Thank you.
안녕하세요, KIST 계산과학연구센터 이병주라고 합니다.
simplenn을 포함해서, 좋은 프로그램 개발해 주셔서 잘 쓰고 있습니다.
다름이 아니라 AIMD 데이터와 같이 stress 데이터 자체가 OUTCAR에 기록되어 있지 않은 경우,
input.yaml에서 is_train_stress 를 False로 지정하더라도, 파일을 읽을 때 기본적으로 stress를 읽도록 되어 있어 property not found 에러가 나네요.
이 부분을 제가 임의로 예외처리 하고 코드를 돌려보면 잘 도는 것 같습니다.
코드 업데이트 때 참고하시면 좋을 것 같습니다~~
감사합니다.
이병주 드림.
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