Fix QM/MM memory allocation error 00/4400/1
authorDavid <dhardy@ks.uiuc.edu>
Thu, 26 Jul 2018 19:09:04 +0000 (14:09 -0500)
committerDavid <dhardy@ks.uiuc.edu>
Thu, 26 Jul 2018 19:09:04 +0000 (14:09 -0500)
commit52a524ce3d7056ac1f192428b5cbacd6afab115a
tree23cbb7fe9e2cae7891ea25b7edfb9ef3434042fa
parentcc5f957604564325da3e94bc957da8e70cf7a5fd
Fix QM/MM memory allocation error

Bug is due to uninitialized variable qmcSMD.  Fix is to initialize it in
prepare_qm() setup function.

Change-Id: I6da432b431b6f331227c11023499b9efbbb74756
src/MoleculeQM.C