| 5 |
|
#include <string> |
| 6 |
|
#include <vector> |
| 7 |
|
|
| 8 |
< |
#include "Atom.hpp" |
| 9 |
< |
#include "RigidBody.hpp" |
| 10 |
< |
#include "Molecule.hpp" |
| 11 |
< |
#include "Exclude.hpp" |
| 12 |
< |
#include "SkipList.hpp" |
| 13 |
< |
#include "AbstractClasses.hpp" |
| 14 |
< |
#include "MakeStamps.hpp" |
| 15 |
< |
#include "SimState.hpp" |
| 16 |
< |
#include "Restraints.hpp" |
| 8 |
> |
#include "primitives/Atom.hpp" |
| 9 |
> |
#include "primitives/RigidBody.hpp" |
| 10 |
> |
#include "primitives/Molecule.hpp" |
| 11 |
> |
#include "brains/Exclude.hpp" |
| 12 |
> |
#include "brains/SkipList.hpp" |
| 13 |
> |
#include "primitives/AbstractClasses.hpp" |
| 14 |
> |
#include "types/MakeStamps.hpp" |
| 15 |
> |
#include "brains/SimState.hpp" |
| 16 |
> |
#include "restraints/Restraints.hpp" |
| 17 |
|
|
| 18 |
|
#define __C |
| 19 |
< |
#include "fSimulation.h" |
| 20 |
< |
#include "fortranWrapDefines.hpp" |
| 21 |
< |
#include "GenericData.hpp" |
| 19 |
> |
#include "brains/fSimulation.h" |
| 20 |
> |
#include "UseTheForce/fortranWrapDefines.hpp" |
| 21 |
> |
#include "utils/GenericData.hpp" |
| 22 |
|
|
| 23 |
|
|
| 24 |
|
//#include "Minimizer.hpp" |
| 25 |
< |
//#include "OOPSEMinimizer.hpp" |
| 25 |
> |
//#include "minimizers/OOPSEMinimizer.hpp" |
| 26 |
|
|
| 27 |
|
|
| 28 |
|
double roundMe( double x ); |
