Bug #850
Some types of selections don't work correctly when compiled in double precision
Description
There is a bug in handling integer to floating-point parameters for selection methods, which causes some types of selections to behave erratically if Gromacs is compiled in double precision. Or more accurately, if sizeof(real) != sizeof(int).
This only affects g_select, and possible user code written using the new trajectory analysis framework.
Associated revisions
History
#1 Updated by Teemu Murtola almost 6 years ago
- Status changed from New to Closed
Fix has been reviewed in Gerrit and merged into release-4-5-patches.
#2 Updated by Teemu Murtola about 4 years ago
- Category changed from analysis tools to selections
- Affected version set to 4.5.5
Fix selection parsing in double precision.
Fixes #850.
Change-Id: Ifd0bf1f5401ca4d62571c8c2fc39e67cac537ecf