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Bug #812

g_sham needs more documentation

Added by Mark Abraham almost 8 years ago. Updated about 5 years ago.

Status:
Closed
Priority:
Normal
Assignee:
David van der Spoel
Category:
documentation
Target version:
5.0
Affected version - extra info:
Affected version:
Documentation - 4.6
Difficulty:
uncategorized
Close

Description

-map and -mdata inputs are not discussed in the help text or any code comments.

It would be useful if there was a suggestion in the documentation that the log file contains an ordered set of indices of energy minima that are useful for going and looking at low-energy structures, after using trjconv -sub bindex.ndx.

I'd assign this to David van der Spoel, who seems to have written g_sham, but he's not a member of this project.

Associated revisions

Revision 3a52686e (diff)
Added by Erik Lindahl about 5 years ago

Removed undocumented -map and -mdata options from g_sham.

Both options and code were completely undocumented, and
nobody seemed interested in helping document them for the
last two years, so for now they are gone.

Fixes #812.

Change-Id: I4d60cf3d58da89d76a4461cdc2e75f031676d2c9

History

#1 Updated by Rossen Apostolov almost 8 years ago

  • Assignee set to David van der Spoel

Assigning to David.

#2 Updated by David van der Spoel almost 8 years ago

  • Target version changed from 4.5.5 to 4.6

Updated target version.

#3 Updated by Rossen Apostolov over 7 years ago

David, could you add info before the 4.6-beta next week?

#4 Updated by Rossen Apostolov over 5 years ago

  • Target version changed from 4.6 to 4.6.x
  • Affected version set to 4.6

#5 Updated by Erik Lindahl about 5 years ago

  • Target version changed from 4.6.x to 5.x
  • Affected version changed from 4.6 to 4.6

Unless somebody looks into it the next few days, we should consider removing undocumented options (and corresponding code) from 5.0.

#6 Updated by Rossen Apostolov about 5 years ago

  • Project changed from Documentation to GROMACS
  • Category changed from manual and in-source to documentation

the issue was moved to project "Gromacs", category "documentation", and the original sub-project "Documentation" was removed.

#7 Updated by Erik Lindahl about 5 years ago

Time to remove the options & code.

#8 Updated by Gerrit Code Review Bot about 5 years ago

Gerrit received a related patchset '1' for Issue #812.
Uploader: Erik Lindahl ()
Change-Id: I4d60cf3d58da89d76a4461cdc2e75f031676d2c9
Gerrit URL: https://gerrit.gromacs.org/3575

#9 Updated by Erik Lindahl about 5 years ago

  • Status changed from New to Fix uploaded

"Fix", meaning "kill" uploaded :-)

#10 Updated by Erik Lindahl about 5 years ago

  • Status changed from Fix uploaded to Resolved
  • % Done changed from 0 to 100

#11 Updated by Erik Lindahl about 5 years ago

  • Status changed from Resolved to Closed

#12 Updated by Teemu Murtola about 5 years ago

  • Target version changed from 5.x to 5.0

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