[BUG] Only the first frame is read using abacus/lcao/relax
bug
### Bug summary
When reading the abacus relaxation trajectory, dpdata's LabeledSystem only includes the first frame in the trajectory, namely the configuration without any relaxation. @dosu
### dpdata Version
v1.0.1
### Input Files, Running Commands, Error Log, etc.
python code as follows,
```
from dpdata import LabeledSystem
import os
sys = LabeledSystem("./test/chempot=0.02",fmt='abacus/lcao/relax')
print(sys)
```
the related directory of abacus results is linked below "Further Information, Files, and Links".
The output is
```
Data Summary
Labeled System
-------------------
Frame Numbers : 1
Atom Numbers : 92
Including Virials : Yes
Element List :
-------------------
Cu Zn
91 1
```
but this trajectory should include 11 frames.
### Steps to Reproduce
simply unzip the abacus directory and run the python code mentioned above
### Further Information, Files, and Links
[test.zip](https://github.com/user-attachments/files/25958453/test.zip)
关闭于 2026-03-23 4 条评论