Unable to generate fields for calculating relative force deviation when using external lammps templates

[xiaohe-njust]

Bug summary

During the structural exploration stage, when using an external lammps template, the field “relative 1.0” cannot be generated for calculating the relative force deviation.Lammps files generated from non-external templates contain the field “relative 1.0”.I tried adding the “relative 1.0” field to the template file, but it didn't work.

Generated from external templates: pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq 100 out_file model_devi.out
Non external template generated: pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq ${THERMO_FREQ} out_file model_devi.out relative 1.0

DP-GEN Version

0.12.1

Platform, Python Version, Remote Platform, etc

No response

Input Files, Running Commands, Error Log, etc.

BUG.zip

Steps to Reproduce

dpgen run param.json machine.json

Further Information, Files, and Links

No response

[njzjz]

Is it the same as your previous issue #1639? Note that we don't have enough developers, so if you could fix this issue by yourself, welcome to contribute to the code.

[xiaohe-njust]

Is it the same as your previous issue #1639? Note that we don't have enough developers, so if you could fix this issue by yourself, welcome to contribute to the code.

Yes, same problem as before, found out today that it was due to not generating the appropriate fields, I hope this discovery is informative. We don't have the ability to modify the code.