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#include <math.h> |
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#include <string> |
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#include <sprng.h> |
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< |
#include "SimSetup.hpp" |
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< |
#include "ReadWrite.hpp" |
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< |
#include "parse_me.h" |
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< |
#include "Integrator.hpp" |
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< |
#include "simError.h" |
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< |
#include "RigidBody.hpp" |
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< |
#include "OOPSEMinimizer.hpp" |
7 |
> |
#include "brains/SimSetup.hpp" |
8 |
> |
#include "io/ReadWrite.hpp" |
9 |
> |
#include "io/parse_me.h" |
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> |
#include "integrators/Integrator.hpp" |
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> |
#include "utils/simError.h" |
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> |
#include "primitives/RigidBody.hpp" |
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> |
#include "minimizers/OOPSEMinimizer.hpp" |
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|
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#ifdef IS_MPI |
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< |
#include "mpiBASS.h" |
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< |
#include "mpiSimulation.hpp" |
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> |
#include "io/mpiBASS.h" |
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> |
#include "brains/mpiSimulation.hpp" |
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#endif |
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// some defines for ensemble and Forcefield cases |
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#define FF_H2O 3 |
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|
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using namespace std; |
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+ |
using namespace oopse; |
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|
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/** |
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* Check whether dividend is divisble by divisor or not |