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(parent: 272736b) | patch
Removed rounding issue in nbnxn Ewald table
authorBerk Hess <hess@kth.se>
Mon, 9 Jun 2014 13:12:12 +0000 (15:12 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 17 Jun 2014 13:42:57 +0000 (15:42 +0200)
commit79f730b0edb541921ec3cc43004a86882ca79017
tree43c7d47b727c2fae3d0b53ff6a08c432244c99d1tree | snapshot
parent272736bc4e81828bcd9d73e04e4e6e70a1712cf1commit | diff
Removed rounding issue in nbnxn Ewald table

The nbnxn Ewald table could got the spacing dx passed as a real.
Changing this to double improves the accuracy of the single precision
table by two orders of magnitude, because rounding errors are avoided.

Change-Id: I11b6c27bd3f4e306c412da8f01761b03dc337ce7
include/tables.h diff | blob | history
src/mdlib/tables.c diff | blob | history
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