| commit | 52b727c356d1c322d96723eb1b60d264effad6a9 | |
| author | Berk Hess <hess@kth.se> | |
| Mon, 5 Mar 2018 15:34:38 +0000 (5 16:34 +0100) | ||
| committer | Aleksei Iupinov <a.yupinov@gmail.com> | |
| Tue, 6 Mar 2018 10:16:23 +0000 (6 11:16 +0100) | ||
| tree | 2c3f33e322a2c4dc4c3b126ff1820a5a9022907f | treesnapshot (tar.gz zip) |
| parent | 1356e68d3ee882d7bb8a43a41649847a2196be00 | commitdiff |
Make multi-atom TPI reproducible
Test particle insertion of molecules of more than one atom called
a rotate function with multiple random calls in the arguments. This
lead to non-reproducible results, at least when switching compiler,
since the language does not define the argument evaluation order.
Note that this issue did not affect physical correctness.
Change-Id: I9ab07566878f381f11284d813d9077fa90e68866
Test particle insertion of molecules of more than one atom called
a rotate function with multiple random calls in the arguments. This
lead to non-reproducible results, at least when switching compiler,
since the language does not define the argument evaluation order.
Note that this issue did not affect physical correctness.
Change-Id: I9ab07566878f381f11284d813d9077fa90e68866
| docs/release-notes/2018/2018.1.rst | diffblobblamehistory | |
| src/gromacs/mdlib/tpi.cpp | diffblobblamehistory |