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initialize adress_do_hybridpairs=FALSE by default
author
Christoph Junghans
<junghans@votca.org>
Wed, 1 Feb 2012 17:44:28 +0000
(10:44 -0700)
committer
Christoph Junghans
<junghans@votca.org>
Wed, 1 Feb 2012 17:44:28 +0000
(10:44 -0700)
fr->adress_do_hybridpairs is evaluated in nonbonded.c:1028 even if
adress is actually off, so it could be used uninitialized, set it
to false for this case.
Change-Id: I6868e7ecc5c484c95483f5bc94f8205350e39028
src/mdlib/forcerec.c
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diff --git
a/src/mdlib/forcerec.c
b/src/mdlib/forcerec.c
index 27b7f22a267a87628c24764fd2b66cb9314ec16f..967c4a4ffdbc53dbe1622abebb67b3890ffb5d0e 100644
(file)
--- a/
src/mdlib/forcerec.c
+++ b/
src/mdlib/forcerec.c
@@
-1382,6
+1382,7
@@
void init_forcerec(FILE *fp,
copy_rvec(ir->adress->refs,fr->adress_refs);
} else {
fr->adress_type = eAdressOff;
+ fr->adress_do_hybridpairs = FALSE;
}
/* Copy the user determined parameters */