deepmodeling
Add parameter 'srtab_file_path' so that one can use DP-ZBL potential successfully
Signed-off-by: Chenqqian Zhang [email protected] Now there is a problem, if someone wants to use zbl potential, the energy table will not be copied into the task folder with input.json, I added a new parameter "srtab_file_path" , the user needs to write the path of the energy table, when generating the training task, this file will be copied into the task folder.
Codecov Report
Base: 39.48% // Head: 39.49% // Increases project coverage by +0.00% :tada:
Coverage data is based on head (
fb7e476) compared to base (572fbfd). Patch coverage: 55.55% of modified lines in pull request are covered.
Additional details and impacted files
@@ Coverage Diff @@
## devel #918 +/- ##
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Coverage 39.48% 39.49%
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Files 99 99
Lines 17989 17998 +9
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+ Hits 7103 7108 +5
- Misses 10886 10890 +4
| Impacted Files | Coverage Δ | |
|---|---|---|
| dpgen/generator/run.py | 65.04% <50.00%> (-0.05%) |
:arrow_down: |
| dpgen/generator/arginfo.py | 100.00% <100.00%> (ø) |
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Please add the parameter to
arginfo.py. I have added it to 'arginfo.py'. Please check.
- There're Python syntax errors in your new commits. You should at least run a demo if you're not familiar with your code.
- You should solve the conflicts whenever you want to create the pull request
@Chengqian-Zhang
I have modified the code according to your suggestions, please review again.