| 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 |
|
*/ |
| 791 |
|
} |
| 792 |
|
} |
| 793 |
|
|
| 794 |
< |
if (simParams->getOutputElectricField()) { |
| 794 |
> |
if (simParams->getOutputElectricField() | simParams->haveElectricField()) { |
| 795 |
|
storageLayout |= DataStorage::dslElectricField; |
| 796 |
|
} |
| 797 |
|
|
| 801 |
|
storageLayout |= DataStorage::dslFlucQForce; |
| 802 |
|
} |
| 803 |
|
|
| 804 |
+ |
info->setStorageLayout(storageLayout); |
| 805 |
+ |
|
| 806 |
|
return storageLayout; |
| 807 |
|
} |
| 808 |
|
|