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 <stack> |
46 |
|
#include "primitives/DirectionalAtom.hpp" |
47 |
|
#include "primitives/RigidBody.hpp" |
48 |
|
#include "primitives/Molecule.hpp" |
49 |
< |
#include "io/basic_ifstrstream.hpp" |
49 |
> |
#include "io/ifstrstream.hpp" |
50 |
|
|
51 |
|
namespace OpenMD { |
52 |
|
|
279 |
|
case Token::z: |
280 |
|
propertyValue = sd->getPos().z(); |
281 |
|
break; |
282 |
+ |
case Token::r: |
283 |
+ |
propertyValue = sd->getPos().length(); |
284 |
+ |
break; |
285 |
|
default: |
286 |
|
unrecognizedAtomProperty(property); |
287 |
|
} |