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 |
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* [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 <cmath> |
44 |
|
#include <iostream> |
45 |
+ |
#include <cstdio> |
46 |
|
|
47 |
|
#include "nonbonded/SwitchingFunction.hpp" |
48 |
|
#include "utils/simError.h" |
145 |
|
return; |
146 |
|
} |
147 |
|
|
148 |
< |
bool SwitchingFunction::getSwitch(const RealType &r2, RealType &sw, RealType &dswdr, |
149 |
< |
RealType &r) { |
148 |
> |
bool SwitchingFunction::getSwitch(const RealType &r2, RealType &sw, |
149 |
> |
RealType &dswdr, RealType &r) { |
150 |
|
|
151 |
|
sw = 1.0; |
152 |
|
dswdr = 0.0; |