| 4 |
|
#include "Integrator.hpp" |
| 5 |
|
#include "Thermo.hpp" |
| 6 |
|
#include "ReadWrite.hpp" |
| 7 |
+ |
#include "simError.h" |
| 8 |
|
|
| 8 |
– |
|
| 9 |
|
extern "C"{ |
| 10 |
|
|
| 11 |
|
void v_constrain_a_( double &dt, int &n_atoms, double* mass, |
| 147 |
|
StatWriter* e_out = new StatWriter( entry_plug ); |
| 148 |
|
DumpWriter* dump_out = new DumpWriter( entry_plug ); |
| 149 |
|
|
| 150 |
+ |
strcpy( checkPointMsg, "Fast foward!" ); |
| 151 |
+ |
MPIcheckPoint(); |
| 152 |
|
|
| 153 |
+ |
strcpy( checkPointMsg, "Fast fowarding!" ); |
| 154 |
+ |
MPIcheckPoint(); |
| 155 |
+ |
|
| 156 |
|
Atom** atoms = entry_plug->atoms; |
| 157 |
|
DirectionalAtom* dAtom; |
| 158 |
|
dt2 = 0.5 * dt; |
