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(parent: 3ee2d27) | patch
Fixes a problem with pair type 2 interactions with free energy
authorMichael Shirts <michael.shirts@virginia.edu>
Sat, 5 Oct 2013 18:28:12 +0000 (14:28 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 16 Oct 2013 11:19:06 +0000 (13:19 +0200)
commit8839a4f9312d392f848fde2d3bcc50bd481f74d1
treeb8b037c2083749e5265cf706ee7a748a1348a006tree | snapshot
parent3ee2d276012042dcacb92a83cb0dbcba2888369acommit | diff
Fixes a problem with pair type 2 interactions with free energy

Pair type 2 interactions, which should remain on regardless
of couple-intramol=yes, were being turned off. Currently, when free
energies were turned on, they were just ignored, because the (empty)
pair one 1 type list was copied over them.  This fix adresses
this problem by adding onto the list instead of copying it over.

Fixes #1315

Change-Id: I240479a8dc083f7a355917ed9f74f4337fa3448f
src/kernel/toppush.c diff | blob | history
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