| 64 |
|
#include "utils/LocalIndexManager.hpp" |
| 65 |
|
#include "nonbonded/SwitchingFunction.hpp" |
| 66 |
|
|
| 67 |
– |
//another nonsense macro declaration |
| 68 |
– |
#define __OPENMD_C |
| 69 |
– |
#include "brains/fSimulation.h" |
| 70 |
– |
|
| 67 |
|
using namespace std; |
| 68 |
|
namespace OpenMD{ |
| 69 |
< |
//forward decalration |
| 69 |
> |
//forward declaration |
| 70 |
|
class SnapshotManager; |
| 71 |
|
class Molecule; |
| 72 |
|
class SelectionManager; |
| 550 |
|
private: |
| 551 |
|
/// Data structures holding primary simulation objects |
| 552 |
|
map<int, Molecule*> molecules_; /**< map holding pointers to LOCAL molecules */ |
| 557 |
– |
simtype fInfo_; /**< A dual struct shared by C++ |
| 558 |
– |
and Fortran to pass |
| 559 |
– |
information about what types |
| 560 |
– |
of calculation are |
| 561 |
– |
required */ |
| 553 |
|
|
| 554 |
|
/// Stamps are templates for objects that are then used to create |
| 555 |
|
/// groups of objects. For example, a molecule stamp contains |
