You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Hello everyone.！
I'm using the dpdata software package for data format conversion for the first time. The goal is to convert the AIMD data format generated by VASP into the DeePMD format, so that it can be used to train a model with DeePMD-kit later. However, when I ran the Python code, I got the following error：” ValueError: cannot find forces in OUTCAR block.“ But there are indeed force data in my OUTCAR file. I would be extremely grateful if anyone could give me some suggestions and help. Below are my Python script and OUTCAR file. dpdata.zip
reacted with thumbs up emoji reacted with thumbs down emoji reacted with laugh emoji reacted with hooray emoji reacted with confused emoji reacted with heart emoji reacted with rocket emoji reacted with eyes emoji
Uh oh!
There was an error while loading. Please reload this page.
Hello everyone.！
I'm using the dpdata software package for data format conversion for the first time. The goal is to convert the AIMD data format generated by VASP into the DeePMD format, so that it can be used to train a model with DeePMD-kit later. However, when I ran the Python code, I got the following error：” ValueError: cannot find forces in OUTCAR block.“ But there are indeed force data in my OUTCAR file. I would be extremely grateful if anyone could give me some suggestions and help. Below are my Python script and OUTCAR file.
dpdata.zip
All reactions