| 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 |
|
*/ |
| 42 |
|
|
| 43 |
< |
#include <cmath> |
| 43 |
> |
#include "utils/NumericConstant.hpp" |
| 44 |
|
#include "primitives/Atom.hpp" |
| 45 |
|
#include "types/FluctuatingChargeAdapter.hpp" |
| 46 |
|
|
| 53 |
|
FluctuatingChargeAdapter fca = FluctuatingChargeAdapter(at); |
| 54 |
|
chargeMass_ = fca.getChargeMass(); |
| 55 |
|
} else { |
| 56 |
< |
chargeMass_ = INFINITY; |
| 56 |
> |
chargeMass_ = NumericConstant::infinity; |
| 57 |
|
} |
| 58 |
|
} |
| 59 |
|
|