AlexandriaChemistry/ACT

Code cleaning and documentation

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#1,290 opened on Apr 5, 2026

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documentationenhancementgood first issuehelp wantedstyle

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Description

Obviously this is a never-ending topic, but this is to combine a couple previous issues into one, which can then be closed

  • Issue #11 remove GROMACS history
  • Issue #1207 remove GMX_THROW from code
  • Issue #1163 get rid of const char *
  • Issue #690 more descriptive information to users
  • Issue #389 clean up enum duplication
  • Issue #362 resolve TODO and FIXME
  • Issue #259 print information about compilation
  • Issue #979 communication about incorrect input, e.g. no data to train on
  • Issue #1216
  • Add index to manual.

Contributor guide

Research direction
Start by selecting a single task from the list (e.g., issue #11 or #1207). Then explore the relevant source files, understand the current code, and plan the removal or refactoring. Note any dependencies on other parts of the code.
Tech stack
cpp
Domain
documentation
Issue type
Refactor
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
3
Estimated timeA rough time range for an experienced contributor to investigate, implement, test, and prepare a pull request.
1-2 days
Activity statusHow available the issue appears right now: fresh, active, stale, blocked, or waiting on maintainer input.
Stale
ClarityHow clearly the issue explains the expected change, acceptance criteria, and next step.
Mostly clear
Prerequisites
GitC++
Newbie friendlinessA 1-100 score estimating how approachable this issue is for first-time contributors.
30