| commit | 2efc195a97f92755e6a2c7ce2def87108ccaa59c | |
| author | Carlo Camilloni <carlo.camilloni@gmail.com> | |
| Fri, 30 Sep 2016 10:08:47 +0000 (30 12:08 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 6 Oct 2016 13:54:16 +0000 (6 15:54 +0200) | ||
| tree | 91806a0262435260d83751ad4aa2012039b6ce38 | treesnapshot (tar.gz zip) |
| parent | 67921a5188f212d80bd54c726a11e11dc316d4ad | commitdiff |
Always update mdatoms when doing energy minimisation
currently mdatoms were not updated when doing energy
minimisation using domain decompositions
Change-Id: I1ab79bfec0ad303c85cac2ea3ed622350e4872ec
currently mdatoms were not updated when doing energy
minimisation using domain decompositions
Change-Id: I1ab79bfec0ad303c85cac2ea3ed622350e4872ec
| src/gromacs/mdlib/minimize.cpp | diffblobblamehistory |