| commit | 6a602ac85f08cf82d138038d9960001e4040ffff | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 24 Aug 2016 09:00:19 +0000 (24 11:00 +0200) | ||
| committer | David van der Spoel <davidvanderspoel@gmail.com> | |
| Sat, 27 Aug 2016 17:52:18 +0000 (27 19:52 +0200) | ||
| tree | 2308e847c4d2e76c380be939faf80ed79ca4fb0b | treesnapshot (tar.gz zip) |
| parent | d5d1010de538d114244da7ab3d271ab5d0114b79 | commitdiff |
Reduce rounding errors in SETTLE
The parameters for SETTLE are now computed in double precision.
This lowers the systematic error in settle.
Change-Id: I537a618830ab149d5f33251d9edca3aa9c43404c
The parameters for SETTLE are now computed in double precision.
This lowers the systematic error in settle.
Change-Id: I537a618830ab149d5f33251d9edca3aa9c43404c
| src/gromacs/mdlib/csettle.cpp | diffblobblamehistory |