| 35 |
|
* |
| 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). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 142 |
|
const static int none = expression | 10; |
| 143 |
|
const static int name = expression | 11; |
| 144 |
|
const static int hull = expression | dynamic | 12; |
| 145 |
+ |
|
| 146 |
|
// miguel 2005 01 01 |
| 147 |
|
// these are used to demark the beginning and end of expressions |
| 148 |
|
// they do not exist in the source code, but are emitted by the |
| 156 |
|
const static int y = atomproperty | dynamic | 3; |
| 157 |
|
const static int z = atomproperty | dynamic | 4; |
| 158 |
|
const static int r = atomproperty | dynamic | 5; |
| 159 |
+ |
const static int wrappedX = atomproperty | dynamic | 6; |
| 160 |
+ |
const static int wrappedY = atomproperty | dynamic | 7; |
| 161 |
+ |
const static int wrappedZ = atomproperty | dynamic | 8; |
| 162 |
|
|
| 163 |
|
const static int opGT = comparator | dynamic | 0; |
| 164 |
|
const static int opGE = comparator | dynamic | 1; |