ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/brains/Thermo.cpp
(Generate patch)

Comparing branches/development/src/brains/Thermo.cpp (file contents):
Revision 1503 by gezelter, Sat Oct 2 19:54:41 2010 UTC vs.
Revision 1709 by gezelter, Tue May 15 13:04:08 2012 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #include <math.h>
# Line 208 | Line 209 | namespace OpenMD {
209  
210      RealType volume = this->getVolume();
211      Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
212 <    Mat3x3d tau = curSnapshot->statData.getTau();
212 >    Mat3x3d tau = curSnapshot->getTau();
213  
214      pressureTensor =  (p_global + PhysicalConstants::energyConvert* tau)/volume;
215      

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines