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Eric Irrgang

  • Registered on: 10/04/2016
  • Last connection: 05/25/2017

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05/05/2017

04:03 PM GROMACS Bug #2141: Each new invocation of mdrun needs it's own setting to use MPI on 28 cores
Regarding multiple assignment: This discussion reminded me of a document linked from one of the tutorials linked thro...

04/22/2017

09:47 PM GROMACS Revision b8ca813b: ignore OS X Finder metadata
Change-Id: I15dbf21ccf4157372c0f4f2d5b699a5d36a0618c
09:42 PM GROMACS Revision db59cd98: sort ignored file extensions
Change-Id: I9c84e10c2371f841cf530239d8748dacd12c4b63
09:40 PM GROMACS Revision ab1acf0c: ignore g++ precompiler header output
Change-Id: Id23eca3422a50817b9e3b49ff49c6fb4e85b4d11

03/17/2017

05:18 PM GROMACS Revision 726842c6: Add an extra verbose target for docs
In reference to issue #2138
The "full" documentation does not include
several options that make it easier to dig
thr...

03/13/2017

11:37 PM GROMACS Task #2045: API design and language bindings

Addressing Teemu's comments, I think we can support several levels of API, but the highest levels will both take fo...
06:44 PM GROMACS Feature #2138: Fast verbose doxygen output
Okay, so Jenkins uses the compact variant and Jenkins should build without warnings and therefore it is undesirable t...

03/12/2017

08:45 PM GROMACS Feature #2139 (New): More precise/explicit documentation conventions
When viewing the "library" or "full" documentation generated by doxygen, it is hard to tell whether the documentation...
08:21 PM GROMACS Feature #2138 (Closed): Fast verbose doxygen output
Various doxygen features allow the automatically built documentation to be more
verbose and useful for exploring the...

02/20/2017

12:48 AM GROMACS Feature #1137: Proposal for integrator framework (do_md) in future GROMACS
Michael Shirts wrote:
> > The Simulation class currently has responsibility for holding some data structures and doi...

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