Help pages: GROMACS and Quantum ESPRESSO first-calculation pages, menu names in messages
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Assessment
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Newbie friendliness
- 66/100
- Issue type
- Documentation
- Clarity
- Mostly clear
- Activity status
- Active
- Tech stack
- c
- Domain
- documentation
Research direction
Find the GROMACS and Quantum ESPRESSO first-calculation pages and the two error messages that mention “Edit > Change Server...”. Start by locating those strings in the help and message files, then review the cited steps, table, and screenshot. Done means the steps and menu names match the requested corrections, the Theory Details table and screenshot are readable, and Verify’s result is explained or the instruction is removed.
Written by the indexing model from the issue text.
Description
Found in the 9.3 test round.
GROMACS first calculation:
- Section 1 step 3 packs five New actions into two sentences and refers ahead; list them one per line.
- 'choose your 1L2Y file' does not say the file is bundled (examples/gromacs-trpcage/1-prepare/1l2y.pdb).
Quantum ESPRESSO first calculation:
- 'Tools > Builder' (see the double-click issue); 'single atom with no open bonds' -> 'lone atom'; the Mode > Atom (Ctrl+5) step is not needed after picking Si.
- The Theory Details table is shown as raw pipe text; the screenshot of Theory Details is mostly black.
- 'Click Verify, then Save' gives nothing to look at; say what Verify shows or drop it.
Messages: two error messages name 'Edit > Change Server...', which does not exist (it is Edit > Preferences, Data folder, Change Server...).
- Dominant language
- C
- Stars
- 10
- Forks
- 8
- Avg merge
- 57m
- Merged PRs (30d)
- 2
Getting set up
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