Ben-Payton / Ben-Payton/ben_sci_tools

Add implementation to scrape thermo info from lammps log files

Open
#5 0 comments 0 reactions 0 assignees View on GitHub
enhancement
Dominant language
Python
Stars
2
Forks
2
PR merge metrics
No merged PRs in 30d

Description

I have this somewhere. The implementation uses Pandas to return a data frame. This would be a good issue to learn how to use dependencies in a package.

Contributor guide

No contributing guide indexed for this repository

Research direction

No file, test, entry point, or expected dataframe columns are named. Start by locating any existing LAMMPS log-handling code and the package dependency configuration, then confirm the thermo fields and success criteria before implementing or testing the scraper.

Written by the indexing model from the issue text.

Assessment

Tech stack
pandas, python
Domain
data
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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