| 59 |
|
#include "utils/simError.h" |
| 60 |
|
#include "selection/SelectionManager.hpp" |
| 61 |
|
#include "io/ForceFieldOptions.hpp" |
| 62 |
< |
#include "UseTheForce/ForceField.hpp" |
| 62 |
> |
#include "brains/ForceField.hpp" |
| 63 |
|
#include "nonbonded/SwitchingFunction.hpp" |
| 64 |
|
#ifdef IS_MPI |
| 65 |
|
#include <mpi.h> |
| 259 |
|
} |
| 260 |
|
} |
| 261 |
|
|
| 262 |
+ |
ndfLocal_ = ndf_local; |
| 263 |
+ |
|
| 264 |
|
// n_constraints is local, so subtract them on each processor |
| 265 |
|
ndf_local -= nConstraints_; |
| 266 |
|
|
| 801 |
|
usesDirectional |= (*i)->isDirectional(); |
| 802 |
|
usesFluctuatingCharges |= (*i)->isFluctuatingCharge(); |
| 803 |
|
} |
| 804 |
< |
|
| 804 |
> |
|
| 805 |
|
#ifdef IS_MPI |
| 806 |
|
int temp; |
| 807 |
|
temp = usesDirectional; |
