General

Profile

Teemu Murtola

  • Registered on:
  • Last connection: 10/17/2017

Issues

Projects

Activity

09/04/2017

10:38 AM GROMACS Revision 7b4d632d: Introduce self-pairs search in nbsearch
Make it possible to search for all pairs within a single set of
positions using AnalysisNeighborhood. This effective...
10:38 AM GROMACS Revision 741a0190: Refactor analysis nbsearch tests
Remove assumptions from the tests about the order in which pairs are
returned. Prepares the tests for an all-pairs s...

08/21/2017

05:45 PM GROMACS Revision 947fe552: Simple union-find structure
Implement a simple data structure that, given a list of items
(represented by integer indices), keeps track of a part...

07/19/2017

06:39 AM GROMACS Revision ef7ed781: Prune unnecessary cells in analysis nbsearch
When doing a grid-based neighborhood search, do not compare pairs in
grid cells that are completely outside the cutof...

07/17/2017

03:51 PM GROMACS Revision 012dd486: Fix hwloc detection
In some cases, including the release workflow build in Jenkins, this
could fail because it uses a CMake macro without...

07/12/2017

08:32 AM Support Platforms Bug #2213 (Resolved): bs_nix1204 jenkins fails with gcc-4.6
Seems to work now.

07/11/2017

10:23 AM GROMACS Revision 8aeca67d: Support scoped key-value tree transform rules
Resolve several TODOs about having the knowledge of the "applied-forces"
option section scattered in different places...

07/09/2017

05:05 PM GROMACS Bug #2184 (Closed): make install-guide fails

07/06/2017

12:37 PM GROMACS Revision b241f99e: Detect unknown mdp options in gmx dump/check
Make gmx dump and gmx check fail gracefully if an input tpr file has
options that are not known to the current code, ...

06/30/2017

01:30 PM GROMACS Revision 33158cad: Fix boolean serialization
Serialize the value instead of address of the value...
Also, write out more information for key-value tree
serializa...

Also available in: Atom