35 |
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* |
36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [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 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
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* [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 |
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} else { |
56 |
< |
chargeMass_ = INFINITY; |
56 |
> |
chargeMass_ = NumericConstant::infinity; |
57 |
|
} |
58 |
|
} |
59 |
|
|