Fixed problem with bond constraint dhdl being left out
authorMichael Shirts <michael.shirts@virginia.edu>
Fri, 17 May 2013 18:44:00 +0000 (14:44 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 21 May 2013 14:55:21 +0000 (16:55 +0200)
commit5d9070d9b57be76caff313c87b3ef35269efe8a4
tree237995ff63d5c83e68ac9fb1d86c48499fe06fd3
parenta73e7b4566a637fcb63ad89d8917982d5683c25b
Fixed problem with bond constraint dhdl being left out

At some point, the dhdl from the holonomic bond constraints got left out,
because the term got zeroed before being added to the bonded energy.

Also, I made some of the variable names involved more descriptive to
clarify the logic.

Removed velocity constraint calls, as don't contribute to dhdl.

Fixes redmine #1255

Change-Id: I2eebf357d1a922b7636dc015b09f286827283dd0
include/types/idef.h
src/gmxlib/tpxio.c
src/kernel/md.c
src/mdlib/force.c
src/mdlib/minimize.c