Project

General

Profile

Bug #607

bug in mvmul_ur0

Added by Mark Abraham about 9 years ago. Updated about 9 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

mvmul_ur0 in include/vec.h reads

static gmx_inline void mvmul_ur0(matrix a,const rvec src,rvec dest) {
dest[ZZ]=a[ZZ][XX]*src[XX]+a[ZZ][YY]*src[YY]+a[ZZ][ZZ]*src[ZZ];
dest[YY]=a[YY][XX]*src[XX]+a[YY][YY];
dest[XX]=a[XX][XX]*src[XX];
}

If this is a matrix-vector multiplication, I think dest[YY] should depend on src[YY], as does the analogous code in tmvmul_ur0 and mvmul.

Fortunately, this is only used in g_vanhove.

History

#1 Updated by Berk Hess about 9 years ago

Ai, that's a stupid bug.
It is only used in g_vanhove, which I wrote. It means that the y-displacement
is calculated as zero for rectangular boxes. Apparently I never noticed this...
I fixed it:
commit cea173ab93502e7294bc4baa7f50306c36a462c2

Berk

Also available in: Atom PDF