| 38 |
|
* University of Notre Dame has been advised of the possibility of |
| 39 |
|
* such damages. |
| 40 |
|
*/ |
| 41 |
< |
|
| 41 |
> |
#define __C |
| 42 |
|
#include "io/ForceFieldOptions.hpp" |
| 43 |
+ |
#include "UseTheForce/fForceOptions.h" |
| 44 |
+ |
#include "UseTheForce/DarkSide/fForceOptions_interface.h" |
| 45 |
|
namespace oopse { |
| 46 |
|
|
| 47 |
|
ForceFieldOptions::ForceFieldOptions() { |
| 59 |
|
DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0); |
| 60 |
|
} |
| 61 |
|
|
| 62 |
+ |
|
| 63 |
+ |
void ForceFieldOptions::tellFortranOptions(){ |
| 64 |
+ |
ForceOptions fortranForceOptions; |
| 65 |
+ |
|
| 66 |
+ |
fortranForceOptions.vdw14scale = this->getvdw14scale(); |
| 67 |
+ |
fortranForceOptions.vdw14scale = this->getvdw14scale(); |
| 68 |
+ |
|
| 69 |
+ |
|
| 70 |
+ |
} |
| 71 |
+ |
|
| 72 |
|
} |