Essential dynamics: move bNeedDoEdsam evaluation to separate function
authorCarsten Kutzner <ckutzne@gwdg.de>
Fri, 6 Dec 2013 12:03:55 +0000 (13:03 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 25 Dec 2013 06:17:29 +0000 (07:17 +0100)
commit852efb4b5de703f75c6151814cd95f3af536eaff
tree00c26500e505f8e766a455da0917a440c0ec6a51
parentda4ab0d23d43cd3c620e0666e0b6ad8fa3194438
Essential dynamics: move bNeedDoEdsam evaluation to separate function

The bool variable edi->bNeedDoEdsam is used to signal whether any essential
dynamics constraints have to be evaluated for the ED group. This variable
was evaluated at the beginning of an ED simulation in write_edo_legend().
The latter is however not called if continuing from checkpoint. To
get rid of having to remember whether edi->bNeedDoEdsam was already
initialized, there is now a function bNeedDoEdsam(edi) that is evaluated
every time when called.
Also corrected a few typos.

Change-Id: Iab899a677a85ee8270354859c98cc9e5a9db34b7
src/mdlib/edsam.c