| 62 |
|
#include "UseTheForce/ForceField.hpp" |
| 63 |
|
#include "utils/PropertyMap.hpp" |
| 64 |
|
#include "utils/LocalIndexManager.hpp" |
| 65 |
+ |
#include "nonbonded/Electrostatic.hpp" |
| 66 |
|
|
| 67 |
|
//another nonsense macro declaration |
| 68 |
|
#define __OPENMD_C |
| 75 |
|
class Molecule; |
| 76 |
|
class SelectionManager; |
| 77 |
|
class StuntDouble; |
| 78 |
+ |
class Electrostatic; |
| 79 |
|
/** |
| 80 |
|
* @class SimInfo SimInfo.hpp "brains/SimInfo.hpp" |
| 81 |
|
* @brief One of the heavy weight classes of OpenMD, SimInfo maintains a list of molecules. |
| 576 |
|
int ljsp_; /**< use shifted potential for LJ*/ |
| 577 |
|
int ljsf_; /**< use shifted force for LJ*/ |
| 578 |
|
|
| 579 |
< |
bool fortranInitialized_; /**< flag indicate whether fortran side |
| 578 |
< |
is initialized */ |
| 579 |
> |
bool fortranInitialized_; /** flag to indicate whether the fortran side is initialized */ |
| 580 |
|
|
| 581 |
|
bool calcBoxDipole_; /**< flag to indicate whether or not we calculate |
| 582 |
|
the simulation box dipole moment */ |
