Added pullCheckPbcWithinGroup() to check one group
commitbb379f7ec7042e20d14da6d0186970277a642439
authorMagnus Lundborg <lundborg.magnus@gmail.com>
Tue, 25 Sep 2018 11:33:05 +0000 (25 13:33 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 26 Sep 2018 20:04:11 +0000 (26 22:04 +0200)
treeb5d385cb558d2b20588421a8521d75d0a98e3cfc
parent31f817da96cbaf05597740125ffc6d4481722bb1
Added pullCheckPbcWithinGroup() to check one group

This function checks if a single group obeys PBC restrictions.

Change-Id: I26e99335c9d127ada1a229597bce489416b21408
src/gromacs/pulling/pull.h
src/gromacs/pulling/pullutil.cpp