| 53 |
|
#include "brains/SimInfo.hpp" |
| 54 |
|
#include "primitives/Molecule.hpp" |
| 55 |
|
#include "nonbonded/InteractionManager.hpp" |
| 56 |
< |
#include "parallel/Decomposition.hpp" |
| 56 |
> |
#include "parallel/ForceDecomposition.hpp" |
| 57 |
|
|
| 58 |
|
#define PREPAIR_LOOP 0 |
| 59 |
|
#define PAIR_LOOP 1 |
| 94 |
|
vector<pair<int, int> > neighborList_; |
| 95 |
|
|
| 96 |
|
InteractionManager* interactionMan_; |
| 97 |
< |
Decomposition* decomp_; |
| 97 |
> |
ForceDecomposition* fDecomp_; |
| 98 |
|
SwitchingFunction* swfun_; |
| 99 |
|
vector<pair<int, int> > neighborList; |
| 100 |
|
map< pair<int, int>, pair<RealType, RealType> > groupCutoffMap; |